2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

C20H28N4O2 — CID 112846753

IUPAC2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCCCCCNc1cc(C(=O)Nc2ccc(OC(C)C)cc2)nc(C)n1
InChIInChI=1S/C20H28N4O2/c1-5-6-7-12-21-19-13-18(22-15(4)23-19)20(25)24-16-8-10-17(11-9-16)26-14(2)3/h8-11,13-14H,5-7,12H2,1-4H3,(H,24,25)(H,21,22,23)
InChIKeyLCWYWQGMKURCAP-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.43
Rot. Bonds9

About 2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (PubChem CID 112846753) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
PubChem CID112846753
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCCCCCNc1cc(C(=O)Nc2ccc(OC(C)C)cc2)nc(C)n1
InChIInChI=1S/C20H28N4O2/c1-5-6-7-12-21-19-13-18(22-15(4)23-19)20(25)24-16-8-10-17(11-9-16)26-14(2)3/h8-11,13-14H,5-7,12H2,1-4H3,(H,24,25)(H,21,22,23)
InChIKeyLCWYWQGMKURCAP-UHFFFAOYSA-N
XLogP4.43
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109366104
6-(butylamino)-N-(4-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109361659
N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide
CID 109361668
N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846747
N-(3,4-difluorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846806
6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109339940
2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109366422
N-(4-ethylphenyl)-2-methyl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112849449
6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109361683
N-(2,4-dimethoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846755
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846783
N-(3,5-dimethylphenyl)-2-methyl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112849129

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (CID 112846753) is 2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is CCCCCNc1cc(C(=O)Nc2ccc(OC(C)C)cc2)nc(C)n1.
What is the InChIKey of 2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is LCWYWQGMKURCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-5-6-7-12-21-19-13-18(22-15(4)23-19)20(25)24-16-8-10-17(11-9-16)26-14(2)3/h8-11,13-14H,5-7,12H2,1-4H3,(H,24,25)(H,21,22,23).
What are the key properties of 2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 4.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112846753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).