2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide

C16H27N5 — CID 107550614

IUPAC2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(CCC(C)C)C2CCCC2)n1
InChIInChI=1S/C16H27N5/c1-11(2)8-9-21(13-6-4-5-7-13)16-19-12(3)10-14(20-16)15(17)18/h10-11,13H,4-9H2,1-3H3,(H3,17,18)
InChIKeyNNWHRFMELYGBOZ-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.86
Rot. Bonds6

About 2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide

2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide (PubChem CID 107550614) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide
PubChem CID107550614
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(CCC(C)C)C2CCCC2)n1
InChIInChI=1S/C16H27N5/c1-11(2)8-9-21(13-6-4-5-7-13)16-19-12(3)10-14(20-16)15(17)18/h10-11,13H,4-9H2,1-3H3,(H3,17,18)
InChIKeyNNWHRFMELYGBOZ-UHFFFAOYSA-N
XLogP2.86
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.86
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]pyrimidine-4-carboximidamide
CID 107550615
2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550138
2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide
CID 114769116
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550128
2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550214
3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide
CID 54997310
2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550677
2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550536
6-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboximidamide
CID 107550091
2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906591
2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide
CID 107550514
6-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]pyrimidine-4-carboximidamide
CID 107550627

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide (CID 107550614) is 2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N(CCC(C)C)C2CCCC2)n1.
What is the InChIKey of 2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide?
The InChIKey is NNWHRFMELYGBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-11(2)8-9-21(13-6-4-5-7-13)16-19-12(3)10-14(20-16)15(17)18/h10-11,13H,4-9H2,1-3H3,(H3,17,18).
What are the key properties of 2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide?
2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide has a molecular weight of 289.43 g/mol, XLogP of 2.86, 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]-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107550614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).