N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide

C21H28N4O — CID 109361130

IUPACN-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2c(C(C)C)cccc2C(C)C)cc(C(=O)NC2CC2)n1
InChIInChI=1S/C21H28N4O/c1-12(2)16-7-6-8-17(13(3)4)20(16)25-19-11-18(22-14(5)23-19)21(26)24-15-9-10-15/h6-8,11-13,15H,9-10H2,1-5H3,(H,24,26)(H,22,23,25)
InChIKeyUJALXAIEDNYEPR-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.67
Rot. Bonds6

About N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide

N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109361130) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide
PubChem CID109361130
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2c(C(C)C)cccc2C(C)C)cc(C(=O)NC2CC2)n1
InChIInChI=1S/C21H28N4O/c1-12(2)16-7-6-8-17(13(3)4)20(16)25-19-11-18(22-14(5)23-19)21(26)24-15-9-10-15/h6-8,11-13,15H,9-10H2,1-5H3,(H,24,26)(H,22,23,25)
InChIKeyUJALXAIEDNYEPR-UHFFFAOYSA-N
XLogP4.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361061
N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide
CID 109339385
6-(cyclopropylamino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109360875
6-[2,6-di(propan-2-yl)anilino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365965
N-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide
CID 109361144
N-cyclopentyl-6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109363342
6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109361076
6-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-2-methylpyrimidine-4-carboxamide
CID 109372464
N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109364005
N-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109322195
N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109361116
6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide
CID 109364026

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide (CID 109361130) is N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2c(C(C)C)cccc2C(C)C)cc(C(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is UJALXAIEDNYEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-12(2)16-7-6-8-17(13(3)4)20(16)25-19-11-18(22-14(5)23-19)21(26)24-15-9-10-15/h6-8,11-13,15H,9-10H2,1-5H3,(H,24,26)(H,22,23,25).
What are the key properties of N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide?
N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109361130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).