2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

C18H23ClN4O — CID 109328971

IUPAC2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(C)C)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H23ClN4O/c1-12(2)8-9-20-17(24)16-10-13(3)22-18(23-16)21-11-14-4-6-15(19)7-5-14/h4-7,10,12H,8-9,11H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyDRVTZAXOIVQCOJ-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.83
Rot. Bonds7

About 2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 109328971) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID109328971
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(C)C)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H23ClN4O/c1-12(2)8-9-20-17(24)16-10-13(3)22-18(23-16)21-11-14-4-6-15(19)7-5-14/h4-7,10,12H,8-9,11H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyDRVTZAXOIVQCOJ-UHFFFAOYSA-N
XLogP3.83
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109329037
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327800
N-[(4-chlorophenyl)methyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327781
2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319479
N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109329026
2-[(4-chlorophenyl)methylamino]-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109328995
2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333289
2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332607
N-(4-chlorophenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327842
2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333217
N-[(2-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109328905
N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109320680

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 109328971) is 2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCC(C)C)nc(NCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is DRVTZAXOIVQCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-12(2)8-9-20-17(24)16-10-13(3)22-18(23-16)21-11-14-4-6-15(19)7-5-14/h4-7,10,12H,8-9,11H2,1-3H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109328971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).