6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

C16H20N4O2 — CID 109340698

IUPAC6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2ccc(OC)cc2)ncn1
InChIInChI=1S/C16H20N4O2/c1-4-11(2)19-15-9-14(17-10-18-15)16(21)20-12-5-7-13(22-3)8-6-12/h5-11H,4H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyPZAHBGPLQHXNPL-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.95
Rot. Bonds6

About 6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109340698) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109340698
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2ccc(OC)cc2)ncn1
InChIInChI=1S/C16H20N4O2/c1-4-11(2)19-15-9-14(17-10-18-15)16(21)20-12-5-7-13(22-3)8-6-12/h5-11H,4H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyPZAHBGPLQHXNPL-UHFFFAOYSA-N
XLogP2.95
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340711
6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109340748
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358931
N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340731
N-(1,3-benzodioxol-5-yl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340735
2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109297207
6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358963
N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349110
6-(butan-2-ylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109340762
6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 121167255
N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357562
methyl 4-[[6-(4-methoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358901

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (CID 109340698) is 6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is CCC(C)Nc1cc(C(=O)Nc2ccc(OC)cc2)ncn1.
What is the InChIKey of 6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is PZAHBGPLQHXNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-11(2)19-15-9-14(17-10-18-15)16(21)20-12-5-7-13(22-3)8-6-12/h5-11H,4H2,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of 6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).