N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide

C21H27N5O — CID 109361116

IUPACN-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(N3CCC(C)CC3)cc2)cc(C(=O)NC2CC2)n1
InChIInChI=1S/C21H27N5O/c1-14-9-11-26(12-10-14)18-7-5-16(6-8-18)24-20-13-19(22-15(2)23-20)21(27)25-17-3-4-17/h5-8,13-14,17H,3-4,9-12H2,1-2H3,(H,25,27)(H,22,23,24)
InChIKeyCJGPGSYNKKNZEE-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.66
Rot. Bonds5

About N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide

N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide (PubChem CID 109361116) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
PubChem CID109361116
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(N3CCC(C)CC3)cc2)cc(C(=O)NC2CC2)n1
InChIInChI=1S/C21H27N5O/c1-14-9-11-26(12-10-14)18-7-5-16(6-8-18)24-20-13-19(22-15(2)23-20)21(27)25-17-3-4-17/h5-8,13-14,17H,3-4,9-12H2,1-2H3,(H,25,27)(H,22,23,24)
InChIKeyCJGPGSYNKKNZEE-UHFFFAOYSA-N
XLogP3.66
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362271
N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361061
6-(3-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide
CID 109363363
6-(1,3-benzodioxol-5-ylamino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109361128
N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109364049
N-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109363428
N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109363336
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363576
2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112870788
2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112878930
6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109360922
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365472

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide (CID 109361116) is N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide is Cc1nc(Nc2ccc(N3CCC(C)CC3)cc2)cc(C(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide?
The InChIKey is CJGPGSYNKKNZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14-9-11-26(12-10-14)18-7-5-16(6-8-18)24-20-13-19(22-15(2)23-20)21(27)25-17-3-4-17/h5-8,13-14,17H,3-4,9-12H2,1-2H3,(H,25,27)(H,22,23,24).
What are the key properties of N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide?
N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109361116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).