(5E)-2-methyl-N-(3-methylbutan-2-yl)-5-[(Z)-pent-2-enylidene]-2,6-dihydro-1H-pyrimidin-4-amine

C15H27N3 — CID 143396493

IUPAC(5E)-2-methyl-N-(3-methylbutan-2-yl)-5-[(Z)-pent-2-enylidene]-2,6-dihydro-1H-pyrimidin-4-amine
SMILESCC/C=C\C=C1/CNC(C)N=C1NC(C)C(C)C
InChIInChI=1S/C15H27N3/c1-6-7-8-9-14-10-16-13(5)18-15(14)17-12(4)11(2)3/h7-9,11-13,16H,6,10H2,1-5H3,(H,17,18)/b8-7-,14-9+
InChIKeyHMOWQKOKIRNFFM-JEHBAHQJSA-N
MW249.40 g/mol
LogP2.86
Rot. Bonds4

About (5E)-2-methyl-N-(3-methylbutan-2-yl)-5-[(Z)-pent-2-enylidene]-2,6-dihydro-1H-pyrimidin-4-amine

(5E)-2-methyl-N-(3-methylbutan-2-yl)-5-[(Z)-pent-2-enylidene]-2,6-dihydro-1H-pyrimidin-4-amine (PubChem CID 143396493) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (5E)-2-methyl-N-(3-methylbutan-2-yl)-5-[(Z)-pent-2-enylidene]-2,6-dihydro-1H-pyrimidin-4-amine.

Molecular Properties

Compound Name(5E)-2-methyl-N-(3-methylbutan-2-yl)-5-[(Z)-pent-2-enylidene]-2,6-dihydro-1H-pyrimidin-4-amine
PubChem CID143396493
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(5E)-2-methyl-N-(3-methylbutan-2-yl)-5-[(Z)-pent-2-enylidene]-2,6-dihydro-1H-pyrimidin-4-amine
SMILESCC/C=C\C=C1/CNC(C)N=C1NC(C)C(C)C
InChIInChI=1S/C15H27N3/c1-6-7-8-9-14-10-16-13(5)18-15(14)17-12(4)11(2)3/h7-9,11-13,16H,6,10H2,1-5H3,(H,17,18)/b8-7-,14-9+
InChIKeyHMOWQKOKIRNFFM-JEHBAHQJSA-N
XLogP2.86
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[amino(cyclohexa-2,4-dien-1-yl)methyl]-N'-(1-cyclohexa-1,5-dien-1-ylethyl)ethanimidamide
CID 123338286
2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine
CID 123557804
N'-butyl-6-methyl-N-propan-2-ylcyclohexa-1,3-diene-1-carboximidamide
CID 124013843
N',2-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboximidamide
CID 130220199
(5E,6E)-N-propan-2-yl-5,6-bis(prop-2-enylidene)pyrimidin-4-amine
CID 134558396
5-ethenyl-N-methyl-2,3-dihydro-1H-pyridin-6-imine
CID 136489670
ethane;2-[(3E)-hexa-1,3,5-trien-3-yl]-N-propan-2-yl-6H-cyclohepta[d]pyrimidin-4-amine;molecular hydrogen
CID 142924190
N'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide
CID 143258576
6,6-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,5-dihydro-1H-pyrimidine
CID 166882348
ethane;(E)-2-ethenyl-N-ethyl-N',3,4-trimethylpent-2-enimidamide;molecular hydrogen
CID 170732032
1-(6-Methylimino-1,2-dihydropyridin-5-ylidene)ethanamine
CID 173799567
acetylene;(2E)-N'-[(5Z)-2-methylhepta-2,3,5-trienyl]-N-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
CID 176531753

Frequently Asked Questions

What is the IUPAC name of (5E)-2-methyl-N-(3-methylbutan-2-yl)-5-[(Z)-pent-2-enylidene]-2,6-dihydro-1H-pyrimidin-4-amine?
The IUPAC name of (5E)-2-methyl-N-(3-methylbutan-2-yl)-5-[(Z)-pent-2-enylidene]-2,6-dihydro-1H-pyrimidin-4-amine (CID 143396493) is (5E)-2-methyl-N-(3-methylbutan-2-yl)-5-[(Z)-pent-2-enylidene]-2,6-dihydro-1H-pyrimidin-4-amine.
What is the SMILES notation for (5E)-2-methyl-N-(3-methylbutan-2-yl)-5-[(Z)-pent-2-enylidene]-2,6-dihydro-1H-pyrimidin-4-amine?
The canonical SMILES for (5E)-2-methyl-N-(3-methylbutan-2-yl)-5-[(Z)-pent-2-enylidene]-2,6-dihydro-1H-pyrimidin-4-amine is CC/C=C\C=C1/CNC(C)N=C1NC(C)C(C)C.
What is the InChIKey of (5E)-2-methyl-N-(3-methylbutan-2-yl)-5-[(Z)-pent-2-enylidene]-2,6-dihydro-1H-pyrimidin-4-amine?
The InChIKey is HMOWQKOKIRNFFM-JEHBAHQJSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-7-8-9-14-10-16-13(5)18-15(14)17-12(4)11(2)3/h7-9,11-13,16H,6,10H2,1-5H3,(H,17,18)/b8-7-,14-9+.
What are the key properties of (5E)-2-methyl-N-(3-methylbutan-2-yl)-5-[(Z)-pent-2-enylidene]-2,6-dihydro-1H-pyrimidin-4-amine?
(5E)-2-methyl-N-(3-methylbutan-2-yl)-5-[(Z)-pent-2-enylidene]-2,6-dihydro-1H-pyrimidin-4-amine has a molecular weight of 249.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-methyl-N-(3-methylbutan-2-yl)-5-[(Z)-pent-2-enylidene]-2,6-dihydro-1H-pyrimidin-4-amine is sourced from PubChem (CID 143396493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).