3-methyl-N-[(E,2E)-4-methyl-2-prop-2-enylidenehex-3-enyl]-2,4-dihydro-1H-pyrimidine-6-carboxamide

C16H25N3O — CID 143682526

IUPAC3-methyl-N-[(E,2E)-4-methyl-2-prop-2-enylidenehex-3-enyl]-2,4-dihydro-1H-pyrimidine-6-carboxamide
SMILESC=C/C=C(\C=C(/C)CC)CNC(=O)C1=CCN(C)CN1
InChIInChI=1S/C16H25N3O/c1-5-7-14(10-13(3)6-2)11-17-16(20)15-8-9-19(4)12-18-15/h5,7-8,10,18H,1,6,9,11-12H2,2-4H3,(H,17,20)/b13-10+,14-7+
InChIKeyFQPFIGNRMJFHGI-KIYZNAMYSA-N
MW275.40 g/mol
LogP1.95
Rot. Bonds6

About 3-methyl-N-[(E,2E)-4-methyl-2-prop-2-enylidenehex-3-enyl]-2,4-dihydro-1H-pyrimidine-6-carboxamide

3-methyl-N-[(E,2E)-4-methyl-2-prop-2-enylidenehex-3-enyl]-2,4-dihydro-1H-pyrimidine-6-carboxamide (PubChem CID 143682526) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-methyl-N-[(E,2E)-4-methyl-2-prop-2-enylidenehex-3-enyl]-2,4-dihydro-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(E,2E)-4-methyl-2-prop-2-enylidenehex-3-enyl]-2,4-dihydro-1H-pyrimidine-6-carboxamide
PubChem CID143682526
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-methyl-N-[(E,2E)-4-methyl-2-prop-2-enylidenehex-3-enyl]-2,4-dihydro-1H-pyrimidine-6-carboxamide
SMILESC=C/C=C(\C=C(/C)CC)CNC(=O)C1=CCN(C)CN1
InChIInChI=1S/C16H25N3O/c1-5-7-14(10-13(3)6-2)11-17-16(20)15-8-9-19(4)12-18-15/h5,7-8,10,18H,1,6,9,11-12H2,2-4H3,(H,17,20)/b13-10+,14-7+
InChIKeyFQPFIGNRMJFHGI-KIYZNAMYSA-N
XLogP1.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E,2E)-4-methyl-2-prop-2-enylidenehex-3-enyl]-2,4-dihydro-1H-pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-N-[(E,2E)-4-methyl-2-prop-2-enylidenehex-3-enyl]-2,4-dihydro-1H-pyrimidine-6-carboxamide (CID 143682526) is 3-methyl-N-[(E,2E)-4-methyl-2-prop-2-enylidenehex-3-enyl]-2,4-dihydro-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[(E,2E)-4-methyl-2-prop-2-enylidenehex-3-enyl]-2,4-dihydro-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-N-[(E,2E)-4-methyl-2-prop-2-enylidenehex-3-enyl]-2,4-dihydro-1H-pyrimidine-6-carboxamide is C=C/C=C(\C=C(/C)CC)CNC(=O)C1=CCN(C)CN1.
What is the InChIKey of 3-methyl-N-[(E,2E)-4-methyl-2-prop-2-enylidenehex-3-enyl]-2,4-dihydro-1H-pyrimidine-6-carboxamide?
The InChIKey is FQPFIGNRMJFHGI-KIYZNAMYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-7-14(10-13(3)6-2)11-17-16(20)15-8-9-19(4)12-18-15/h5,7-8,10,18H,1,6,9,11-12H2,2-4H3,(H,17,20)/b13-10+,14-7+.
What are the key properties of 3-methyl-N-[(E,2E)-4-methyl-2-prop-2-enylidenehex-3-enyl]-2,4-dihydro-1H-pyrimidine-6-carboxamide?
3-methyl-N-[(E,2E)-4-methyl-2-prop-2-enylidenehex-3-enyl]-2,4-dihydro-1H-pyrimidine-6-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E,2E)-4-methyl-2-prop-2-enylidenehex-3-enyl]-2,4-dihydro-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 143682526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).