2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide

C12H19N5O2 — CID 76927158

IUPAC2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide
SMILESCCCC(C(=O)NCc1ccnc(C)n1)C(N)=NO
InChIInChI=1S/C12H19N5O2/c1-3-4-10(11(13)17-19)12(18)15-7-9-5-6-14-8(2)16-9/h5-6,10,19H,3-4,7H2,1-2H3,(H2,13,17)(H,15,18)
InChIKeyYTGDFHORCKASAT-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.56
Rot. Bonds6

About 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide

2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide (PubChem CID 76927158) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide
PubChem CID76927158
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide
SMILESCCCC(C(=O)NCc1ccnc(C)n1)C(N)=NO
InChIInChI=1S/C12H19N5O2/c1-3-4-10(11(13)17-19)12(18)15-7-9-5-6-14-8(2)16-9/h5-6,10,19H,3-4,7H2,1-2H3,(H2,13,17)(H,15,18)
InChIKeyYTGDFHORCKASAT-UHFFFAOYSA-N
XLogP0.56
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N'-hydroxycarbamimidoyl)-N-[(2-methylphenyl)methyl]pentanamide
CID 76925362
2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide
CID 114186807
N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76925463
2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 76939038
2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
CID 79202738
N'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide
CID 114266326
2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
CID 114897739
2,3-dimethyl-4-[(2-methylpyrimidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103497934
(2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide
CID 93444407
N-[(3,4-difluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926592
2-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]butanamide
CID 76950601
2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 61138716

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide (CID 76927158) is 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide is CCCC(C(=O)NCc1ccnc(C)n1)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide?
The InChIKey is YTGDFHORCKASAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-4-10(11(13)17-19)12(18)15-7-9-5-6-14-8(2)16-9/h5-6,10,19H,3-4,7H2,1-2H3,(H2,13,17)(H,15,18).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide?
2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide has a molecular weight of 265.32 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide is sourced from PubChem (CID 76927158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).