4-amino-6-[1-[5-chloro-2-methoxy-4-methyl-3-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethylamino]pyrimidine-5-carbonitrile

C25H26ClN7O3 — CID 88961902

IUPAC4-amino-6-[1-[5-chloro-2-methoxy-4-methyl-3-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethylamino]pyrimidine-5-carbonitrile
SMILESCOc1c(C(C)Nc2ncnc(N)c2C#N)cc(Cl)c(C)c1-c1cncc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C25H26ClN7O3/c1-14-20(26)9-18(15(2)32-24-19(10-27)23(28)30-13-31-24)22(35-3)21(14)16-8-17(12-29-11-16)25(34)33-4-6-36-7-5-33/h8-9,11-13,15H,4-7H2,1-3H3,(H3,28,30,31,32)
InChIKeyQRWWNGKSJGZKPA-UHFFFAOYSA-N
MW507.98 g/mol
LogP3.61
Rot. Bonds6

About 4-amino-6-[1-[5-chloro-2-methoxy-4-methyl-3-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethylamino]pyrimidine-5-carbonitrile

4-amino-6-[1-[5-chloro-2-methoxy-4-methyl-3-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethylamino]pyrimidine-5-carbonitrile (PubChem CID 88961902) has the molecular formula C25H26ClN7O3 and a molecular weight of 507.98 g/mol. Its IUPAC name is 4-amino-6-[1-[5-chloro-2-methoxy-4-methyl-3-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[1-[5-chloro-2-methoxy-4-methyl-3-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethylamino]pyrimidine-5-carbonitrile
PubChem CID88961902
Molecular FormulaC25H26ClN7O3
Molecular Weight507.98 g/mol
Exact Mass507.18
IUPAC Name4-amino-6-[1-[5-chloro-2-methoxy-4-methyl-3-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethylamino]pyrimidine-5-carbonitrile
SMILESCOc1c(C(C)Nc2ncnc(N)c2C#N)cc(Cl)c(C)c1-c1cncc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C25H26ClN7O3/c1-14-20(26)9-18(15(2)32-24-19(10-27)23(28)30-13-31-24)22(35-3)21(14)16-8-17(12-29-11-16)25(34)33-4-6-36-7-5-33/h8-9,11-13,15H,4-7H2,1-3H3,(H3,28,30,31,32)
InChIKeyQRWWNGKSJGZKPA-UHFFFAOYSA-N
XLogP3.61
TPSA139.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.98
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-amino-6-[1-[5-chloro-2-methoxy-4-methyl-3-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethylamino]pyrimidine-5-carbonitrile with MolForge

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Related Compounds

6-[3-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-3-carboxamide
CID 155517153
4-Amino-6-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethylamino]pyrimidine-5-carbonitrile
CID 155544339
4-Amino-8-{1-[5-chloro-3-(5-fluoropyridin-3-yl)-2-methoxy-4-methylphenyl]ethyl}pyrido[2,3-d]pyrimidin-5(8H)-one bis(trifluoroacetate)
CID 71510498
4-Amino-6-[1-[5-chloro-3-(5-cyano-3-pyridinyl)-2-methoxy-4-methylphenyl]ethylamino]pyrimidine-5-carbonitrile
CID 88961844
4-Amino-6-[1-[3-(2-aminopyrimidin-5-yl)-5-chloro-2-methoxy-4-methylphenyl]ethylamino]pyrimidine-5-carbonitrile
CID 88961903
5-(3-{1-[4-Amino-3-(difluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-5-chloro-2-methoxy-6-methylphenyl)-N,N-dimethylpyridine-2-carboxamide
CID 89425121
5-[3-[1-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]ethyl]-5-chloro-2-(2,2-difluoroethoxy)-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide
CID 89425138
5-{3-[1-(4-Amino-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)ethyl]-5-chloro-2-ethoxy-6-methylphenyl}-N,N-dimethylpyridine-2-carboxamide bis(trifluoroacetate)
CID 71508935
4-Amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5(8H)-one bis(trifluoroacetate)
CID 71510232
5-{3-[1-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl}-N-methylpyridine-2-carboxamide bis(trifluoroacetate)
CID 71510357
4-Amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyrimidin-5-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5(8H)-one bis(trifluoroacetate)
CID 71510358
US10092570, Example 25
CID 71510360

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[1-[5-chloro-2-methoxy-4-methyl-3-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[1-[5-chloro-2-methoxy-4-methyl-3-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethylamino]pyrimidine-5-carbonitrile (CID 88961902) is 4-amino-6-[1-[5-chloro-2-methoxy-4-methyl-3-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[1-[5-chloro-2-methoxy-4-methyl-3-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[1-[5-chloro-2-methoxy-4-methyl-3-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethylamino]pyrimidine-5-carbonitrile is COc1c(C(C)Nc2ncnc(N)c2C#N)cc(Cl)c(C)c1-c1cncc(C(=O)N2CCOCC2)c1.
What is the InChIKey of 4-amino-6-[1-[5-chloro-2-methoxy-4-methyl-3-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is QRWWNGKSJGZKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O3/c1-14-20(26)9-18(15(2)32-24-19(10-27)23(28)30-13-31-24)22(35-3)21(14)16-8-17(12-29-11-16)25(34)33-4-6-36-7-5-33/h8-9,11-13,15H,4-7H2,1-3H3,(H3,28,30,31,32).
What are the key properties of 4-amino-6-[1-[5-chloro-2-methoxy-4-methyl-3-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethylamino]pyrimidine-5-carbonitrile?
4-amino-6-[1-[5-chloro-2-methoxy-4-methyl-3-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 507.98 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[1-[5-chloro-2-methoxy-4-methyl-3-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 88961902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).