5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine

C16H23N3 — CID 142187236

IUPAC5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine
SMILESC=CC1=C(C(=C)C)N=C(C2CCN(C)CC2)NC1=C
InChIInChI=1S/C16H23N3/c1-6-14-12(4)17-16(18-15(14)11(2)3)13-7-9-19(5)10-8-13/h6,13H,1-2,4,7-10H2,3,5H3,(H,17,18)
InChIKeyBBWAFYCXMWQGRN-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.86
Rot. Bonds3

About 5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine

5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine (PubChem CID 142187236) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine.

Molecular Properties

Compound Name5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine
PubChem CID142187236
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine
SMILESC=CC1=C(C(=C)C)N=C(C2CCN(C)CC2)NC1=C
InChIInChI=1S/C16H23N3/c1-6-14-12(4)17-16(18-15(14)11(2)3)13-7-9-19(5)10-8-13/h6,13H,1-2,4,7-10H2,3,5H3,(H,17,18)
InChIKeyBBWAFYCXMWQGRN-UHFFFAOYSA-N
XLogP2.86
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-5-(piperidin-4-yl)-3H-azepin-2-amine
CID 172418747
2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole
CID 70988964
4-Cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-methyl-1,4-dihydropyrimidine
CID 89603847
2-(3-piperidin-1-ylpropyl)-3a,4,7,8-tetrahydro-1H-perimidine
CID 89636817
N-[(1Z)-1-(6-ethenylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-6-[(1-methylpiperidin-4-yl)methyl]-2,4a,5,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-amine
CID 91067657
(2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine
CID 118617834
1-But-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine
CID 123286517
1,5-Dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole
CID 123789944
N-methyl-7-[(2E,4Z)-6-(1-methylpiperidin-4-yl)hepta-2,4,6-trien-3-yl]-2,3-dihydropyrido[3,4-b]pyrazin-5-amine
CID 132039311
4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-5-prop-1-enyl-3,4-dihydro-1H-pyridin-2-imine
CID 137169828
(Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-(9-methyl-4-methylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)penta-2,4-dien-1-imine
CID 142511208
2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine;(Z)-3,4-dimethyloct-4-ene
CID 142511349

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine?
The IUPAC name of 5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine (CID 142187236) is 5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine.
What is the SMILES notation for 5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine?
The canonical SMILES for 5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine is C=CC1=C(C(=C)C)N=C(C2CCN(C)CC2)NC1=C.
What is the InChIKey of 5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine?
The InChIKey is BBWAFYCXMWQGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-6-14-12(4)17-16(18-15(14)11(2)3)13-7-9-19(5)10-8-13/h6,13H,1-2,4,7-10H2,3,5H3,(H,17,18).
What are the key properties of 5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine?
5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine has a molecular weight of 257.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine is sourced from PubChem (CID 142187236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).