3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide

C15H17N5 — CID 62971559

IUPAC3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)c2ncnc3c2CCC3)c1
InChIInChI=1S/C15H17N5/c1-20(11-5-2-4-10(8-11)14(16)17)15-12-6-3-7-13(12)18-9-19-15/h2,4-5,8-9H,3,6-7H2,1H3,(H3,16,17)
InChIKeyZKKICELVZFOKAH-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.02
Rot. Bonds3

About 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide

3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide (PubChem CID 62971559) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide
PubChem CID62971559
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)c2ncnc3c2CCC3)c1
InChIInChI=1S/C15H17N5/c1-20(11-5-2-4-10(8-11)14(16)17)15-12-6-3-7-13(12)18-9-19-15/h2,4-5,8-9H,3,6-7H2,1H3,(H3,16,17)
InChIKeyZKKICELVZFOKAH-UHFFFAOYSA-N
XLogP2.02
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.02
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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Frequently Asked Questions

What is the IUPAC name of 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide?
The IUPAC name of 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide (CID 62971559) is 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide.
What is the SMILES notation for 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide?
The canonical SMILES for 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cccc(N(C)c2ncnc3c2CCC3)c1.
What is the InChIKey of 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide?
The InChIKey is ZKKICELVZFOKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-20(11-5-2-4-10(8-11)14(16)17)15-12-6-3-7-13(12)18-9-19-15/h2,4-5,8-9H,3,6-7H2,1H3,(H3,16,17).
What are the key properties of 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide?
3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide has a molecular weight of 267.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide is sourced from PubChem (CID 62971559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).