2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide

C14H22N4O — CID 109361234

IUPAC2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)NCCC(C)C)nc(C)n1
InChIInChI=1S/C14H22N4O/c1-5-7-15-13-9-12(17-11(4)18-13)14(19)16-8-6-10(2)3/h5,9-10H,1,6-8H2,2-4H3,(H,16,19)(H,15,17,18)
InChIKeyRFWBEXZGXBCDAP-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.16
Rot. Bonds7

About 2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide

2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide (PubChem CID 109361234) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
PubChem CID109361234
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)NCCC(C)C)nc(C)n1
InChIInChI=1S/C14H22N4O/c1-5-7-15-13-9-12(17-11(4)18-13)14(19)16-8-6-10(2)3/h5,9-10H,1,6-8H2,2-4H3,(H,16,19)(H,15,17,18)
InChIKeyRFWBEXZGXBCDAP-UHFFFAOYSA-N
XLogP2.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361353
6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109364686
2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109360374
N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361162
6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361367
2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361248
N-[2-(dimethylamino)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361940
N-(2,5-dimethylphenyl)-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361253
6-(2,6-difluoroanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846697
N-(4-tert-butylphenyl)-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361268
N-(3-methylbutyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295989
6-(4-acetylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846653

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide (CID 109361234) is 2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide is C=CCNc1cc(C(=O)NCCC(C)C)nc(C)n1.
What is the InChIKey of 2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The InChIKey is RFWBEXZGXBCDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-5-7-15-13-9-12(17-11(4)18-13)14(19)16-8-6-10(2)3/h5,9-10H,1,6-8H2,2-4H3,(H,16,19)(H,15,17,18).
What are the key properties of 2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109361234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).