2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine

C10H14N2 — CID 144745986

IUPAC2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine
SMILESC=C/C(=C\C)C1=CNC(C)N=C1
InChIInChI=1S/C10H14N2/c1-4-9(5-2)10-6-11-8(3)12-7-10/h4-8,11H,1H2,2-3H3/b9-5+
InChIKeyMRDRCPWXUHJBEZ-WEVVVXLNSA-N
MW162.24 g/mol
LogP2.02
Rot. Bonds2

About 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine

2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine (PubChem CID 144745986) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine
PubChem CID144745986
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine
SMILESC=C/C(=C\C)C1=CNC(C)N=C1
InChIInChI=1S/C10H14N2/c1-4-9(5-2)10-6-11-8(3)12-7-10/h4-8,11H,1H2,2-3H3/b9-5+
InChIKeyMRDRCPWXUHJBEZ-WEVVVXLNSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydro-2,7-naphthyridine
CID 57034641
2,3-Dihydro-2,6-naphthyridine
CID 57195549
Methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 59962921
[(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium
CID 59970359
5-[(E,4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one
CID 60054993
5-[(4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one
CID 68596878
5-[4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one
CID 68596881
5-ethenyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 88999305
(Z)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine
CID 89153792
(1E)-1-[(4Z)-4-prop-2-enylidene-3-pyridinylidene]ethanamine
CID 89223414
5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89270031
5-(5-aminohex-2-en-2-yl)-1H-pyrimidin-2-one
CID 91535270

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine?
The IUPAC name of 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine (CID 144745986) is 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine.
What is the SMILES notation for 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine?
The canonical SMILES for 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine is C=C/C(=C\C)C1=CNC(C)N=C1.
What is the InChIKey of 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine?
The InChIKey is MRDRCPWXUHJBEZ-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-9(5-2)10-6-11-8(3)12-7-10/h4-8,11H,1H2,2-3H3/b9-5+.
What are the key properties of 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine?
2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine has a molecular weight of 162.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine is sourced from PubChem (CID 144745986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).