(1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide

C21H23N3O — CID 124755594

IUPAC(1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide
SMILESCC1=C(c2ccccc2)[C@@H]1C(=O)NCCc1nc(C)c2c(n1)CCC2
InChIInChI=1S/C21H23N3O/c1-13-19(15-7-4-3-5-8-15)20(13)21(25)22-12-11-18-23-14(2)16-9-6-10-17(16)24-18/h3-5,7-8,20H,6,9-12H2,1-2H3,(H,22,25)/t20-/m1/s1
InChIKeyQUSQHLDSNKKOQA-HXUWFJFHSA-N
MW333.43 g/mol
LogP3.04
Rot. Bonds5

About (1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide

(1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide (PubChem CID 124755594) has the molecular formula C21H23N3O and a molecular weight of 333.43 g/mol. Its IUPAC name is (1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide
PubChem CID124755594
Molecular FormulaC21H23N3O
Molecular Weight333.43 g/mol
Exact Mass333.18
IUPAC Name(1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide
SMILESCC1=C(c2ccccc2)[C@@H]1C(=O)NCCc1nc(C)c2c(n1)CCC2
InChIInChI=1S/C21H23N3O/c1-13-19(15-7-4-3-5-8-15)20(13)21(25)22-12-11-18-23-14(2)16-9-6-10-17(16)24-18/h3-5,7-8,20H,6,9-12H2,1-2H3,(H,22,25)/t20-/m1/s1
InChIKeyQUSQHLDSNKKOQA-HXUWFJFHSA-N
XLogP3.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide?
The IUPAC name of (1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide (CID 124755594) is (1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide.
What is the SMILES notation for (1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide?
The canonical SMILES for (1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide is CC1=C(c2ccccc2)[C@@H]1C(=O)NCCc1nc(C)c2c(n1)CCC2.
What is the InChIKey of (1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide?
The InChIKey is QUSQHLDSNKKOQA-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H23N3O/c1-13-19(15-7-4-3-5-8-15)20(13)21(25)22-12-11-18-23-14(2)16-9-6-10-17(16)24-18/h3-5,7-8,20H,6,9-12H2,1-2H3,(H,22,25)/t20-/m1/s1.
What are the key properties of (1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide?
(1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide is sourced from PubChem (CID 124755594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).