N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C18H19N5 — CID 70727919

IUPACN-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCN(Cc1ccc(-n2cccn2)cc1)c1ncnc2c1CCC2
InChIInChI=1S/C18H19N5/c1-22(18-16-4-2-5-17(16)19-13-20-18)12-14-6-8-15(9-7-14)23-11-3-10-21-23/h3,6-11,13H,2,4-5,12H2,1H3
InChIKeyUPACYTSYCFKGNH-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.79
Rot. Bonds4

About N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 70727919) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID70727919
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC NameN-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCN(Cc1ccc(-n2cccn2)cc1)c1ncnc2c1CCC2
InChIInChI=1S/C18H19N5/c1-22(18-16-4-2-5-17(16)19-13-20-18)12-14-6-8-15(9-7-14)23-11-3-10-21-23/h3,6-11,13H,2,4-5,12H2,1H3
InChIKeyUPACYTSYCFKGNH-UHFFFAOYSA-N
XLogP2.79
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 70727919) is N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CN(Cc1ccc(-n2cccn2)cc1)c1ncnc2c1CCC2.
What is the InChIKey of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is UPACYTSYCFKGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-22(18-16-4-2-5-17(16)19-13-20-18)12-14-6-8-15(9-7-14)23-11-3-10-21-23/h3,6-11,13H,2,4-5,12H2,1H3.
What are the key properties of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 305.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 70727919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).