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

C17H23N5 — CID 53192900

IUPAC2-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1nn(C)c(C)c1CNc1nc(C2CC2)nc2c1CCC2
InChIInChI=1S/C17H23N5/c1-10-14(11(2)22(3)21-10)9-18-17-13-5-4-6-15(13)19-16(20-17)12-7-8-12/h12H,4-9H2,1-3H3,(H,18,19,20)
InChIKeyMMXZCRGERHPRCA-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.81
Rot. Bonds4

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

2-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 53192900) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID53192900
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name2-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1nn(C)c(C)c1CNc1nc(C2CC2)nc2c1CCC2
InChIInChI=1S/C17H23N5/c1-10-14(11(2)22(3)21-10)9-18-17-13-5-4-6-15(13)19-16(20-17)12-7-8-12/h12H,4-9H2,1-3H3,(H,18,19,20)
InChIKeyMMXZCRGERHPRCA-UHFFFAOYSA-N
XLogP2.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 53192900) is 2-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1nn(C)c(C)c1CNc1nc(C2CC2)nc2c1CCC2.
What is the InChIKey of 2-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is MMXZCRGERHPRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-10-14(11(2)22(3)21-10)9-18-17-13-5-4-6-15(13)19-16(20-17)12-7-8-12/h12H,4-9H2,1-3H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 297.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 53192900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).