methyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate

C20H23ClN4O3 — CID 58220912

IUPACmethyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2)nc(NCc2ccccc2N2CCOCC2)c1Cl
InChIInChI=1S/C20H23ClN4O3/c1-27-20(26)17-16(21)19(24-18(23-17)13-6-7-13)22-12-14-4-2-3-5-15(14)25-8-10-28-11-9-25/h2-5,13H,6-12H2,1H3,(H,22,23,24)
InChIKeyWXAKIIAHZIIMND-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.24
Rot. Bonds6

About methyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate

methyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate (PubChem CID 58220912) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is methyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate
PubChem CID58220912
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC Namemethyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2)nc(NCc2ccccc2N2CCOCC2)c1Cl
InChIInChI=1S/C20H23ClN4O3/c1-27-20(26)17-16(21)19(24-18(23-17)13-6-7-13)22-12-14-4-2-3-5-15(14)25-8-10-28-11-9-25/h2-5,13H,6-12H2,1H3,(H,22,23,24)
InChIKeyWXAKIIAHZIIMND-UHFFFAOYSA-N
XLogP3.24
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate with MolForge

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Related Compounds

methyl 5-chloro-2-cyclopropyl-6-[[2-(trifluoromethyl)phenyl]methylamino]pyrimidine-4-carboxylate
CID 58220874
methyl 6-[(5-bromofuran-2-yl)methylamino]-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
CID 58220920
1-[6-(benzylamino)-5-chloro-2-cyclopropylpyrimidin-4-yl]-3-phenylpropan-1-one;methyl 6-(benzylamino)-5-chloro-2-cyclopropylpyrimidine-4-carboxylate;methyl 5,6-dichloro-2-cyclopropylpyrimidine-4-carboxylate
CID 159364379
5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 67094756
methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate
CID 75440397
N-benzyl-6-(benzylamino)-5-chloro-2-cyclopropylpyrimidine-4-carboxamide
CID 67094511
methyl 6-[[2-(4-bromophenyl)-2-fluoroethyl]amino]-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
CID 58220726
methyl 2-chloro-3-morpholin-4-ylbenzoate
CID 166766817
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
2,4-dichloro-3-methyl-6-[(2-morpholin-4-ylphenyl)methylamino]phenol
CID 87654793
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
4-[(2-morpholin-4-ylphenyl)methylamino]cyclohexan-1-ol
CID 110928598

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate?
The IUPAC name of methyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate (CID 58220912) is methyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate is COC(=O)c1nc(C2CC2)nc(NCc2ccccc2N2CCOCC2)c1Cl.
What is the InChIKey of methyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate?
The InChIKey is WXAKIIAHZIIMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c1-27-20(26)17-16(21)19(24-18(23-17)13-6-7-13)22-12-14-4-2-3-5-15(14)25-8-10-28-11-9-25/h2-5,13H,6-12H2,1H3,(H,22,23,24).
What are the key properties of methyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate?
methyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate has a molecular weight of 402.88 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate is sourced from PubChem (CID 58220912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).