(6E)-6-hexan-2-ylidene-1H-pyrimidine

C10H16N2 — CID 130242037

IUPAC(6E)-6-hexan-2-ylidene-1H-pyrimidine
SMILESCCCC/C(C)=C1\C=CN=CN1
InChIInChI=1S/C10H16N2/c1-3-4-5-9(2)10-6-7-11-8-12-10/h6-8H,3-5H2,1-2H3,(H,11,12)/b10-9+
InChIKeyYRWZERGBZSKUCZ-MDZDMXLPSA-N
MW164.25 g/mol
LogP2.60
Rot. Bonds3

About (6E)-6-hexan-2-ylidene-1H-pyrimidine

(6E)-6-hexan-2-ylidene-1H-pyrimidine (PubChem CID 130242037) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (6E)-6-hexan-2-ylidene-1H-pyrimidine.

Molecular Properties

Compound Name(6E)-6-hexan-2-ylidene-1H-pyrimidine
PubChem CID130242037
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(6E)-6-hexan-2-ylidene-1H-pyrimidine
SMILESCCCC/C(C)=C1\C=CN=CN1
InChIInChI=1S/C10H16N2/c1-3-4-5-9(2)10-6-7-11-8-12-10/h6-8H,3-5H2,1-2H3,(H,11,12)/b10-9+
InChIKeyYRWZERGBZSKUCZ-MDZDMXLPSA-N
XLogP2.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine
CID 91311689
6-Cyclohepta-1,6-dien-1-yl-1,4-dihydropyrimidin-4-amine
CID 117792001
N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide
CID 123221162
4-(2,5-Dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine
CID 123294210
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
CID 123679921
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,4-dihydropyrimidine
CID 124198945
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-methyl-1,4-dihydropyrimidine
CID 124199139
N-(2-ethenylcyclohexa-1,5-dien-1-yl)-N'-methylmethanimidamide
CID 129060116
N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 129288826
N-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide
CID 129294469

Frequently Asked Questions

What is the IUPAC name of (6E)-6-hexan-2-ylidene-1H-pyrimidine?
The IUPAC name of (6E)-6-hexan-2-ylidene-1H-pyrimidine (CID 130242037) is (6E)-6-hexan-2-ylidene-1H-pyrimidine.
What is the SMILES notation for (6E)-6-hexan-2-ylidene-1H-pyrimidine?
The canonical SMILES for (6E)-6-hexan-2-ylidene-1H-pyrimidine is CCCC/C(C)=C1\C=CN=CN1.
What is the InChIKey of (6E)-6-hexan-2-ylidene-1H-pyrimidine?
The InChIKey is YRWZERGBZSKUCZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-4-5-9(2)10-6-7-11-8-12-10/h6-8H,3-5H2,1-2H3,(H,11,12)/b10-9+.
What are the key properties of (6E)-6-hexan-2-ylidene-1H-pyrimidine?
(6E)-6-hexan-2-ylidene-1H-pyrimidine has a molecular weight of 164.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-hexan-2-ylidene-1H-pyrimidine is sourced from PubChem (CID 130242037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).