6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide

C17H20N4O2 — CID 109339744

IUPAC6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2ccc(OC(C)C)cc2)ncn1
InChIInChI=1S/C17H20N4O2/c1-4-9-18-17(22)15-10-16(20-11-19-15)21-13-5-7-14(8-6-13)23-12(2)3/h4-8,10-12H,1,9H2,2-3H3,(H,18,22)(H,19,20,21)
InChIKeyMWNHIHCGHPLRAE-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.92
Rot. Bonds7

About 6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide

6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109339744) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109339744
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2ccc(OC(C)C)cc2)ncn1
InChIInChI=1S/C17H20N4O2/c1-4-9-18-17(22)15-10-16(20-11-19-15)21-13-5-7-14(8-6-13)23-12(2)3/h4-8,10-12H,1,9H2,2-3H3,(H,18,22)(H,19,20,21)
InChIKeyMWNHIHCGHPLRAE-UHFFFAOYSA-N
XLogP2.92
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109338961
N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109347466
6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339707
N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109346404
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109342707
6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339792
[6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341134
N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109339717
6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109339940
6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339784
6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109346565
6-N-(4-ethoxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866323

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide (CID 109339744) is 6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(Nc2ccc(OC(C)C)cc2)ncn1.
What is the InChIKey of 6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is MWNHIHCGHPLRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-9-18-17(22)15-10-16(20-11-19-15)21-13-5-7-14(8-6-13)23-12(2)3/h4-8,10-12H,1,9H2,2-3H3,(H,18,22)(H,19,20,21).
What are the key properties of 6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109339744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).