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

C16H20N4O2 — CID 109297207

IUPAC2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1nccc(C(=O)Nc2ccc(OC)cc2)n1
InChIInChI=1S/C16H20N4O2/c1-4-11(2)18-16-17-10-9-14(20-16)15(21)19-12-5-7-13(22-3)8-6-12/h5-11H,4H2,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyTXJFBHHZXXIQDV-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.95
Rot. Bonds6

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

2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109297207) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109297207
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1nccc(C(=O)Nc2ccc(OC)cc2)n1
InChIInChI=1S/C16H20N4O2/c1-4-11(2)18-16-17-10-9-14(20-16)15(21)19-12-5-7-13(22-3)8-6-12/h5-11H,4H2,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyTXJFBHHZXXIQDV-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

2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109297209
2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109297087
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297252
6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109340698
2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297217
N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide
CID 112980466
N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109294858
2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109306366
2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109311475
2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109305811
N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306415
N-(4-bromo-2-methylphenyl)-2-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109297242

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (CID 109297207) is 2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is CCC(C)Nc1nccc(C(=O)Nc2ccc(OC)cc2)n1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is TXJFBHHZXXIQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-11(2)18-16-17-10-9-14(20-16)15(21)19-12-5-7-13(22-3)8-6-12/h5-11H,4H2,1-3H3,(H,19,21)(H,17,18,20).
What are the key properties of 2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
2-(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 2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109297207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).