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

C19H22N6 — CID 166225590

IUPACN-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCN(Cc1cnn(C)c1)c1nc(-c2cccnc2)nc2c1CCC2
InChIInChI=1S/C19H22N6/c1-3-25(13-14-10-21-24(2)12-14)19-16-7-4-8-17(16)22-18(23-19)15-6-5-9-20-11-15/h5-6,9-12H,3-4,7-8,13H2,1-2H3
InChIKeyGLVATLCQNOUCEI-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.79
Rot. Bonds5

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

N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 166225590) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID166225590
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC NameN-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCN(Cc1cnn(C)c1)c1nc(-c2cccnc2)nc2c1CCC2
InChIInChI=1S/C19H22N6/c1-3-25(13-14-10-21-24(2)12-14)19-16-7-4-8-17(16)22-18(23-19)15-6-5-9-20-11-15/h5-6,9-12H,3-4,7-8,13H2,1-2H3
InChIKeyGLVATLCQNOUCEI-UHFFFAOYSA-N
XLogP2.79
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 166225590) is N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCN(Cc1cnn(C)c1)c1nc(-c2cccnc2)nc2c1CCC2.
What is the InChIKey of N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is GLVATLCQNOUCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-3-25(13-14-10-21-24(2)12-14)19-16-7-4-8-17(16)22-18(23-19)15-6-5-9-20-11-15/h5-6,9-12H,3-4,7-8,13H2,1-2H3.
What are the key properties of N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 334.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 166225590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).