6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide

C15H16Cl2N4O — CID 109340748

IUPAC6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ncn1
InChIInChI=1S/C15H16Cl2N4O/c1-3-9(2)20-14-7-13(18-8-19-14)15(22)21-12-5-10(16)4-11(17)6-12/h4-9H,3H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyURUXGMJAAAFODA-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.25
Rot. Bonds5

About 6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide

6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide (PubChem CID 109340748) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
PubChem CID109340748
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ncn1
InChIInChI=1S/C15H16Cl2N4O/c1-3-9(2)20-14-7-13(18-8-19-14)15(22)21-12-5-10(16)4-11(17)6-12/h4-9H,3H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyURUXGMJAAAFODA-UHFFFAOYSA-N
XLogP4.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340711
6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109340698
N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340731
5-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyridine-2-carboxamide
CID 109181759
6-(butan-2-ylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109340762
N-(1,3-benzodioxol-5-yl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340735
methyl 3-[[6-(butan-2-ylamino)pyrimidine-4-carbonyl]amino]-4-chlorobenzoate
CID 109340717
N-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344839
6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109340900
6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109340604
N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340306
6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358963

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide (CID 109340748) is 6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide is CCC(C)Nc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ncn1.
What is the InChIKey of 6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide?
The InChIKey is URUXGMJAAAFODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-3-9(2)20-14-7-13(18-8-19-14)15(22)21-12-5-10(16)4-11(17)6-12/h4-9H,3H2,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of 6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide?
6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).