methyl-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]cyanamide

C14H20N6 — CID 142996613

IUPACmethyl-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]cyanamide
SMILESCCCC1=C(Cn2ccnc2C)N=CN(N(C)C#N)C1
InChIInChI=1S/C14H20N6/c1-4-5-13-8-20(18(3)10-15)11-17-14(13)9-19-7-6-16-12(19)2/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeyYJAUJTYGAPPYAM-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.92
Rot. Bonds5

About methyl-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]cyanamide

methyl-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]cyanamide (PubChem CID 142996613) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is methyl-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]cyanamide.

Molecular Properties

Compound Namemethyl-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]cyanamide
PubChem CID142996613
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Namemethyl-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]cyanamide
SMILESCCCC1=C(Cn2ccnc2C)N=CN(N(C)C#N)C1
InChIInChI=1S/C14H20N6/c1-4-5-13-8-20(18(3)10-15)11-17-14(13)9-19-7-6-16-12(19)2/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeyYJAUJTYGAPPYAM-UHFFFAOYSA-N
XLogP1.92
TPSA60.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

1-Subsituted 1H-imidazole, 14
CID 25116047
N-geranylimidazol
CID 13309275
(2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine
CID 164642173
1-(6-Fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole
CID 56976663
7-[[2-(6-Fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-3-carbonitrile
CID 70339066
ethane;2-fluoro-N-[(Z)-prop-1-enyl]ethanimine;(Z)-[2,2,2-trifluoro-1-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]ethylidene]hydrazine
CID 142996741
1-Cyclohex-2-en-1-ylimidazole
CID 13491238
2-(Cyclohexen-1-yl)-1-methylimidazole
CID 44195338
{(1-Methylimidazol-2-yl)methylene}-2-aminoethylpyridine
CID 129818007
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4,5-dimethyl-3,6-dihydro-2H-pyridine
CID 121586987
[6-[[2-[(E)-4-cyanobut-3-enyl]imidazol-1-yl]methyl]-5-(3-fluoropropyl)-4H-pyrimidin-3-yl]-methylcyanamide
CID 142996617
3-Ethanimidoyl-5-(2-fluoroethyl)-6-(imidazol-1-ylmethyl)pyrimidin-4-imine
CID 142996669

Frequently Asked Questions

What is the IUPAC name of methyl-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]cyanamide?
The IUPAC name of methyl-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]cyanamide (CID 142996613) is methyl-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]cyanamide.
What is the SMILES notation for methyl-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]cyanamide?
The canonical SMILES for methyl-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]cyanamide is CCCC1=C(Cn2ccnc2C)N=CN(N(C)C#N)C1.
What is the InChIKey of methyl-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]cyanamide?
The InChIKey is YJAUJTYGAPPYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-4-5-13-8-20(18(3)10-15)11-17-14(13)9-19-7-6-16-12(19)2/h6-7,11H,4-5,8-9H2,1-3H3.
What are the key properties of methyl-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]cyanamide?
methyl-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]cyanamide has a molecular weight of 272.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]cyanamide is sourced from PubChem (CID 142996613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).