N-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]morpholine-4-carboxamide

C24H27ClN6O2 — CID 118559295

IUPACN-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]morpholine-4-carboxamide
SMILESCc1c(Cl)cccc1-c1cc(NCCc2ccc(NC(=O)N3CCOCC3)cc2)nc(N)n1
InChIInChI=1S/C24H27ClN6O2/c1-16-19(3-2-4-20(16)25)21-15-22(30-23(26)29-21)27-10-9-17-5-7-18(8-6-17)28-24(32)31-11-13-33-14-12-31/h2-8,15H,9-14H2,1H3,(H,28,32)(H3,26,27,29,30)
InChIKeyYDFOOCZXLWTPOB-UHFFFAOYSA-N
MW466.97 g/mol
LogP4.21
Rot. Bonds6

About N-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]morpholine-4-carboxamide

N-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]morpholine-4-carboxamide (PubChem CID 118559295) has the molecular formula C24H27ClN6O2 and a molecular weight of 466.97 g/mol. Its IUPAC name is N-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]morpholine-4-carboxamide
PubChem CID118559295
Molecular FormulaC24H27ClN6O2
Molecular Weight466.97 g/mol
Exact Mass466.19
IUPAC NameN-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]morpholine-4-carboxamide
SMILESCc1c(Cl)cccc1-c1cc(NCCc2ccc(NC(=O)N3CCOCC3)cc2)nc(N)n1
InChIInChI=1S/C24H27ClN6O2/c1-16-19(3-2-4-20(16)25)21-15-22(30-23(26)29-21)27-10-9-17-5-7-18(8-6-17)28-24(32)31-11-13-33-14-12-31/h2-8,15H,9-14H2,1H3,(H,28,32)(H3,26,27,29,30)
InChIKeyYDFOOCZXLWTPOB-UHFFFAOYSA-N
XLogP4.21
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]morpholine-4-carboxamide
CID 157233431
1-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea
CID 118559510
2,2-dimethylpropyl N-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate
CID 118559536
5-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzene-1,2,3-triol
CID 118559241
4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzamide
CID 118559339
4-N-(3-aminopropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 118567875
N-[4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]methanesulfonamide
CID 118559488
4-[[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 174851715
4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzenesulfonamide
CID 118559397
4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 118559221
4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]-N-methylbenzenesulfonamide
CID 118559448
2-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyrimidine-4-carboxylic acid
CID 118559418

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]morpholine-4-carboxamide (CID 118559295) is N-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]morpholine-4-carboxamide is Cc1c(Cl)cccc1-c1cc(NCCc2ccc(NC(=O)N3CCOCC3)cc2)nc(N)n1.
What is the InChIKey of N-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]morpholine-4-carboxamide?
The InChIKey is YDFOOCZXLWTPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O2/c1-16-19(3-2-4-20(16)25)21-15-22(30-23(26)29-21)27-10-9-17-5-7-18(8-6-17)28-24(32)31-11-13-33-14-12-31/h2-8,15H,9-14H2,1H3,(H,28,32)(H3,26,27,29,30).
What are the key properties of N-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]morpholine-4-carboxamide?
N-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]morpholine-4-carboxamide has a molecular weight of 466.97 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 118559295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).