2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide

C13H21N5O — CID 136906591

IUPAC2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(N(CC(C)C)C2CC2)n1
InChIInChI=1S/C13H21N5O/c1-8(2)7-18(10-4-5-10)13-15-9(3)6-11(16-13)12(14)17-19/h6,8,10,19H,4-5,7H2,1-3H3,(H2,14,17)
InChIKeyLBXSWEJHNUPULO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.50
Rot. Bonds5

About 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide

2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide (PubChem CID 136906591) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
PubChem CID136906591
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(N(CC(C)C)C2CC2)n1
InChIInChI=1S/C13H21N5O/c1-8(2)7-18(10-4-5-10)13-15-9(3)6-11(16-13)12(14)17-19/h6,8,10,19H,4-5,7H2,1-3H3,(H2,14,17)
InChIKeyLBXSWEJHNUPULO-UHFFFAOYSA-N
XLogP1.50
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-[cyclopropyl(ethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906390
2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906555
N'-hydroxy-6-methyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboximidamide
CID 136635931
2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 76911921
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906520
4-(aminomethyl)-N-cyclopentyl-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 107542143
2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136986756
3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide
CID 54997535
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906614
2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550614
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136986706
2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906523

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide (CID 136906591) is 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide is Cc1cc(/C(N)=N/O)nc(N(CC(C)C)C2CC2)n1.
What is the InChIKey of 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The InChIKey is LBXSWEJHNUPULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-8(2)7-18(10-4-5-10)13-15-9(3)6-11(16-13)12(14)17-19/h6,8,10,19H,4-5,7H2,1-3H3,(H2,14,17).
What are the key properties of 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 136906591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).