2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide

C15H25N5 — CID 107550615

IUPAC2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CCC(C)C)C2CCCC2)n1
InChIInChI=1S/C15H25N5/c1-11(2)8-10-20(12-5-3-4-6-12)15-18-9-7-13(19-15)14(16)17/h7,9,11-12H,3-6,8,10H2,1-2H3,(H3,16,17)
InChIKeyZKIOVVNAMCBVFK-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.56
Rot. Bonds6

About 2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide

2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide (PubChem CID 107550615) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide
PubChem CID107550615
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CCC(C)C)C2CCCC2)n1
InChIInChI=1S/C15H25N5/c1-11(2)8-10-20(12-5-3-4-6-12)15-18-9-7-13(19-15)14(16)17/h7,9,11-12H,3-6,8,10H2,1-2H3,(H3,16,17)
InChIKeyZKIOVVNAMCBVFK-UHFFFAOYSA-N
XLogP2.56
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550614
2-[cyclopropyl(3-methylbutyl)amino]pyrimidine-4-carbothioamide
CID 107547067
2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide
CID 114769116
2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550526
4-[cyclohexyl(ethyl)amino]pyridine-2-carboximidamide
CID 62926833
2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide
CID 107550528
5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 83189626
2-[cyclobutyl(3-hydroxypropyl)amino]pyrimidine-4-carbothioamide
CID 107548195
2-cycloheptyloxypyrimidine-4-carboximidamide
CID 107551067
6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
CID 102863037
3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine
CID 102986844
5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
CID 113321216

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide?
The IUPAC name of 2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide (CID 107550615) is 2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide?
The canonical SMILES for 2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(CCC(C)C)C2CCCC2)n1.
What is the InChIKey of 2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide?
The InChIKey is ZKIOVVNAMCBVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-11(2)8-10-20(12-5-3-4-6-12)15-18-9-7-13(19-15)14(16)17/h7,9,11-12H,3-6,8,10H2,1-2H3,(H3,16,17).
What are the key properties of 2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide?
2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide is sourced from PubChem (CID 107550615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).