2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C14H19N5 — CID 112670983

IUPAC2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCc1nn(C)cc1-c1nc2c(c(NC)n1)CCC2
InChIInChI=1S/C14H19N5/c1-4-11-10(8-19(3)18-11)14-16-12-7-5-6-9(12)13(15-2)17-14/h8H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyMKTXIYKXKYQGKK-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.97
Rot. Bonds3

About 2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 112670983) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID112670983
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCc1nn(C)cc1-c1nc2c(c(NC)n1)CCC2
InChIInChI=1S/C14H19N5/c1-4-11-10(8-19(3)18-11)14-16-12-7-5-6-9(12)13(15-2)17-14/h8H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyMKTXIYKXKYQGKK-UHFFFAOYSA-N
XLogP1.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 112670983) is 2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCc1nn(C)cc1-c1nc2c(c(NC)n1)CCC2.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is MKTXIYKXKYQGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-4-11-10(8-19(3)18-11)14-16-12-7-5-6-9(12)13(15-2)17-14/h8H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 112670983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).