N-benzyl-2-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C18H19N5 — CID 142797818

IUPACN-benzyl-2-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCn1nccc1-c1nc2c(c(NCc3ccccc3)n1)CCC2
InChIInChI=1S/C18H19N5/c1-23-16(10-11-20-23)18-21-15-9-5-8-14(15)17(22-18)19-12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,19,21,22)
InChIKeyJAPVGAMZIFSKBK-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.98
Rot. Bonds4

About N-benzyl-2-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-benzyl-2-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 142797818) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-benzyl-2-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID142797818
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC NameN-benzyl-2-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCn1nccc1-c1nc2c(c(NCc3ccccc3)n1)CCC2
InChIInChI=1S/C18H19N5/c1-23-16(10-11-20-23)18-21-15-9-5-8-14(15)17(22-18)19-12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,19,21,22)
InChIKeyJAPVGAMZIFSKBK-UHFFFAOYSA-N
XLogP2.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 142797818) is N-benzyl-2-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cn1nccc1-c1nc2c(c(NCc3ccccc3)n1)CCC2.
What is the InChIKey of N-benzyl-2-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is JAPVGAMZIFSKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-23-16(10-11-20-23)18-21-15-9-5-8-14(15)17(22-18)19-12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,19,21,22).
What are the key properties of N-benzyl-2-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-benzyl-2-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 305.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 142797818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).