(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine

C11H16N2 — CID 137445526

IUPAC(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine
SMILESC/C=C\N1C=NC=C/C1=C\CCC
InChIInChI=1S/C11H16N2/c1-3-5-6-11-7-8-12-10-13(11)9-4-2/h4,6-10H,3,5H2,1-2H3/b9-4-,11-6+
InChIKeyOWZKNIPDDPEYPX-AQPYURIMSA-N
MW176.26 g/mol
LogP3.06
Rot. Bonds3

About (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine

(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine (PubChem CID 137445526) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine.

Molecular Properties

Compound Name(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine
PubChem CID137445526
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine
SMILESC/C=C\N1C=NC=C/C1=C\CCC
InChIInChI=1S/C11H16N2/c1-3-5-6-11-7-8-12-10-13(11)9-4-2/h4,6-10H,3,5H2,1-2H3/b9-4-,11-6+
InChIKeyOWZKNIPDDPEYPX-AQPYURIMSA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6E)-6-butylidene-1-[(Z)-prop-1-enyl]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'-(3-fluorobuta-1,3-dien-2-yl)-N-[(3Z)-hexa-3,5-dienyl]-N-methylmethanimidamide
CID 156447090
3-ethyl-6-propyl-4H-pyrimidine
CID 53815368
N'-(1,5-diethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide
CID 57037934
N'-(1,5-dimethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide
CID 57257147
(1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-1,3-dien-1-amine
CID 89245508
N-methyl-1-(2-methylidene-1-pyridinyl)methanimine
CID 89288883
4-N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine
CID 89682679
1,8a-Dihydroimidazo[1,5-a]pyridine;ethane
CID 90971508
7-Methyl-6,7-dihydropyrimido[1,6-a]azepine
CID 117656108
6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium
CID 123248580
N-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine
CID 123279872
N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide
CID 123417471

Frequently Asked Questions

What is the IUPAC name of (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine?
The IUPAC name of (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine (CID 137445526) is (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine.
What is the SMILES notation for (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine?
The canonical SMILES for (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine is C/C=C\N1C=NC=C/C1=C\CCC.
What is the InChIKey of (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine?
The InChIKey is OWZKNIPDDPEYPX-AQPYURIMSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-5-6-11-7-8-12-10-13(11)9-4-2/h4,6-10H,3,5H2,1-2H3/b9-4-,11-6+.
What are the key properties of (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine?
(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine has a molecular weight of 176.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine is sourced from PubChem (CID 137445526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).