N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methylpropanimidamide

C15H24N6 — CID 142996718

IUPACN'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methylpropanimidamide
SMILESCCCC1=C(Cn2ccnc2)N=CN(/N=C(\N)C(C)C)C1
InChIInChI=1S/C15H24N6/c1-4-5-13-8-21(19-15(16)12(2)3)11-18-14(13)9-20-7-6-17-10-20/h6-7,10-12H,4-5,8-9H2,1-3H3,(H2,16,19)
InChIKeyGZGQTUKOUJFMRM-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.21
Rot. Bonds6

About N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methylpropanimidamide

N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methylpropanimidamide (PubChem CID 142996718) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methylpropanimidamide
PubChem CID142996718
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC NameN'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methylpropanimidamide
SMILESCCCC1=C(Cn2ccnc2)N=CN(/N=C(\N)C(C)C)C1
InChIInChI=1S/C15H24N6/c1-4-5-13-8-21(19-15(16)12(2)3)11-18-14(13)9-20-7-6-17-10-20/h6-7,10-12H,4-5,8-9H2,1-3H3,(H2,16,19)
InChIKeyGZGQTUKOUJFMRM-UHFFFAOYSA-N
XLogP2.21
TPSA71.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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
CID 142996740
[6-[[2-[(E)-4-cyanobut-3-enyl]imidazol-1-yl]methyl]-5-(3-fluoropropyl)-4H-pyrimidin-3-yl]-methylcyanamide
CID 142996617
1-[1-[(2-ethyl-8-propyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-2-fluoro-N-[(Z)-pent-2-enyl]ethanimine
CID 142996621
3-Ethanimidoyl-5-(2-fluoroethyl)-6-(imidazol-1-ylmethyl)pyrimidin-4-imine
CID 142996669
8-(3-Fluoropropyl)-3-methyl-7-[(2-methylimidazol-1-yl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 142996713
(Z)-[2,2,2-trifluoro-1-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]ethylidene]hydrazine
CID 142996742
6-(3-imidazol-1-ylpropyl)-7H-pyrido[3,4-d]pyrimidine-4,6-diamine
CID 69755911
5-(2-imidazol-1-ylethyl)-3,6-dimethyl-4H-pyrimidine
CID 70583982
3-Imidazol-1-yl-2-methylcyclopent-2-en-1-amine
CID 117764351
N-[(Z)-but-1-enyl]-2-fluoroethanimine;ethane;N'-[6-(imidazol-1-ylmethyl)-5-[(E)-prop-1-enyl]-4H-pyrimidin-3-yl]ethanimidamide
CID 142996601
but-1-ene;2-fluoroethanimine;methyl N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]carbamimidate
CID 142996610

Frequently Asked Questions

What is the IUPAC name of N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methylpropanimidamide?
The IUPAC name of N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methylpropanimidamide (CID 142996718) is N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methylpropanimidamide.
What is the SMILES notation for N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methylpropanimidamide?
The canonical SMILES for N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methylpropanimidamide is CCCC1=C(Cn2ccnc2)N=CN(/N=C(\N)C(C)C)C1.
What is the InChIKey of N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methylpropanimidamide?
The InChIKey is GZGQTUKOUJFMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-4-5-13-8-21(19-15(16)12(2)3)11-18-14(13)9-20-7-6-17-10-20/h6-7,10-12H,4-5,8-9H2,1-3H3,(H2,16,19).
What are the key properties of N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methylpropanimidamide?
N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methylpropanimidamide has a molecular weight of 288.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methylpropanimidamide is sourced from PubChem (CID 142996718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).