N-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide

C20H26N4O — CID 109249626

IUPACN-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1ncc(C(=O)NC2CCCC2)cn1
InChIInChI=1S/C20H26N4O/c1-13(2)17-10-6-7-14(3)18(17)24-20-21-11-15(12-22-20)19(25)23-16-8-4-5-9-16/h6-7,10-13,16H,4-5,8-9H2,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyBZZIMAFHNFLGNA-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.32
Rot. Bonds5

About N-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide

N-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide (PubChem CID 109249626) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
PubChem CID109249626
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1ncc(C(=O)NC2CCCC2)cn1
InChIInChI=1S/C20H26N4O/c1-13(2)17-10-6-7-14(3)18(17)24-20-21-11-15(12-22-20)19(25)23-16-8-4-5-9-16/h6-7,10-13,16H,4-5,8-9H2,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyBZZIMAFHNFLGNA-UHFFFAOYSA-N
XLogP4.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]pyrimidine-5-carboxamide
CID 109250432
N-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109322195
2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248539
[2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249307
N-cyclopentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109249624
N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109250365
2-(2-methyl-6-propan-2-ylanilino)-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247761
N-(4-chlorophenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268173
2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109268166
N-(2-chlorophenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268171
N-(2-methyl-6-propan-2-ylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247171
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268195

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide (CID 109249626) is N-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide is Cc1cccc(C(C)C)c1Nc1ncc(C(=O)NC2CCCC2)cn1.
What is the InChIKey of N-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide?
The InChIKey is BZZIMAFHNFLGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13(2)17-10-6-7-14(3)18(17)24-20-21-11-15(12-22-20)19(25)23-16-8-4-5-9-16/h6-7,10-13,16H,4-5,8-9H2,1-3H3,(H,23,25)(H,21,22,24).
What are the key properties of N-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide?
N-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109249626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).