N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide

C16H18N4O3 — CID 109295850

IUPACN-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2nccc(C(=O)NC3CC3)n2)c1
InChIInChI=1S/C16H18N4O3/c1-22-11-5-6-14(23-2)13(9-11)20-16-17-8-7-12(19-16)15(21)18-10-3-4-10/h5-10H,3-4H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyPSUKCRYPTDDLIJ-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.13
Rot. Bonds6

About N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide

N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109295850) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109295850
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2nccc(C(=O)NC3CC3)n2)c1
InChIInChI=1S/C16H18N4O3/c1-22-11-5-6-14(23-2)13(9-11)20-16-17-8-7-12(19-16)15(21)18-10-3-4-10/h5-10H,3-4H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyPSUKCRYPTDDLIJ-UHFFFAOYSA-N
XLogP2.13
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109295653
2-(2,5-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314928
2-(4-chloro-2-methoxy-5-methylanilino)-N-cycloheptylpyrimidine-4-carboxamide
CID 109311611
2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296243
4-N-cyclopropyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112882303
2-(2,5-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306309
N-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109318035
2-(2,5-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315480
N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315277
N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109295787
2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317564
2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313029

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide (CID 109295850) is N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide is COc1ccc(OC)c(Nc2nccc(C(=O)NC3CC3)n2)c1.
What is the InChIKey of N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is PSUKCRYPTDDLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-22-11-5-6-14(23-2)13(9-11)20-16-17-8-7-12(19-16)15(21)18-10-3-4-10/h5-10H,3-4H2,1-2H3,(H,18,21)(H,17,19,20).
What are the key properties of N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide?
N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109295850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).