(Z)-1-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]but-1-en-2-amine

C16H25N5 — CID 142996638

IUPAC(Z)-1-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]but-1-en-2-amine
SMILESCCCC1=C(Cn2ccnc2C)N=CN(/C=C(\N)CC)C1
InChIInChI=1S/C16H25N5/c1-4-6-14-9-20(10-15(17)5-2)12-19-16(14)11-21-8-7-18-13(21)3/h7-8,10,12H,4-6,9,11,17H2,1-3H3/b15-10-
InChIKeyXETRGBLFPRPFRK-GDNBJRDFSA-N
MW287.41 g/mol
LogP2.80
Rot. Bonds6

About (Z)-1-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]but-1-en-2-amine

(Z)-1-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]but-1-en-2-amine (PubChem CID 142996638) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is (Z)-1-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]but-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]but-1-en-2-amine
PubChem CID142996638
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name(Z)-1-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]but-1-en-2-amine
SMILESCCCC1=C(Cn2ccnc2C)N=CN(/C=C(\N)CC)C1
InChIInChI=1S/C16H25N5/c1-4-6-14-9-20(10-15(17)5-2)12-19-16(14)11-21-8-7-18-13(21)3/h7-8,10,12H,4-6,9,11,17H2,1-3H3/b15-10-
InChIKeyXETRGBLFPRPFRK-GDNBJRDFSA-N
XLogP2.80
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Subsituted 1H-imidazole, 14
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1-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazol-3-ium
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N-geranylimidazol
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3-[2-(Cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
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1-(6-Fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole
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3-Fluoro-3-(3-imidazol-1-ylpropyl)cyclohexa-1,5-diene-1,4-diamine
CID 90030980
1-Fluoro-3-(4-imidazol-1-ylcyclohexa-1,5-dien-1-yl)pentan-2-amine
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1-[(2E)-5-fluoro-2-(2-fluoroprop-2-enylidene)hept-4-enyl]-N-prop-1-en-2-ylimidazol-4-amine
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5-ethyl-6-[[2-(3-fluoro-4,5-dihydro-3H-azepin-2-yl)imidazol-1-yl]methyl]-3-(2-methylpropanimidoyl)pyrimidin-4-imine
CID 142996608
N'-[7-[[2-[(4,7-difluorocyclohepta-1,4,6-trien-1-yl)methyl]imidazol-1-yl]methyl]-6-ethyl-4,5-dihydro-1,3-diazepin-3-yl]ethanimidamide
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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]but-1-en-2-amine?
The IUPAC name of (Z)-1-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]but-1-en-2-amine (CID 142996638) is (Z)-1-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]but-1-en-2-amine.
What is the SMILES notation for (Z)-1-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]but-1-en-2-amine?
The canonical SMILES for (Z)-1-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]but-1-en-2-amine is CCCC1=C(Cn2ccnc2C)N=CN(/C=C(\N)CC)C1.
What is the InChIKey of (Z)-1-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]but-1-en-2-amine?
The InChIKey is XETRGBLFPRPFRK-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H25N5/c1-4-6-14-9-20(10-15(17)5-2)12-19-16(14)11-21-8-7-18-13(21)3/h7-8,10,12H,4-6,9,11,17H2,1-3H3/b15-10-.
What are the key properties of (Z)-1-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]but-1-en-2-amine?
(Z)-1-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]but-1-en-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]but-1-en-2-amine is sourced from PubChem (CID 142996638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).