N-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide

C17H20N4O4 — CID 109339389

IUPACN-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cc(Nc2cc(C(=O)NC3CC3)ncn2)cc(OC)c1OC
InChIInChI=1S/C17H20N4O4/c1-23-13-6-11(7-14(24-2)16(13)25-3)20-15-8-12(18-9-19-15)17(22)21-10-4-5-10/h6-10H,4-5H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyCMRNVZFVZGHTCV-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.14
Rot. Bonds7

About N-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide

N-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109339389) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109339389
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cc(Nc2cc(C(=O)NC3CC3)ncn2)cc(OC)c1OC
InChIInChI=1S/C17H20N4O4/c1-23-13-6-11(7-14(24-2)16(13)25-3)20-15-8-12(18-9-19-15)17(22)21-10-4-5-10/h6-10H,4-5H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyCMRNVZFVZGHTCV-UHFFFAOYSA-N
XLogP2.14
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109341510
N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109339315
methyl 4-[[6-(cyclopropylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109339364
N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
CID 109320007
methyl 4-[[6-(cyclohexylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109342097
6-anilino-N-cyclopentylpyrimidine-4-carboxamide
CID 109341462
methyl 3-[[6-(cyclopentylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109341519
N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109339316
6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341498
N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109250436
N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109354049
6-(butylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109339977

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide (CID 109339389) is N-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide is COc1cc(Nc2cc(C(=O)NC3CC3)ncn2)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is CMRNVZFVZGHTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-23-13-6-11(7-14(24-2)16(13)25-3)20-15-8-12(18-9-19-15)17(22)21-10-4-5-10/h6-10H,4-5H2,1-3H3,(H,21,22)(H,18,19,20).
What are the key properties of N-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide?
N-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109339389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).