2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone

C15H22N4O — CID 71836315

IUPAC2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCc1nc2c(c(N(C)CC(=O)N3CCCC3)n1)CCC2
InChIInChI=1S/C15H22N4O/c1-11-16-13-7-5-6-12(13)15(17-11)18(2)10-14(20)19-8-3-4-9-19/h3-10H2,1-2H3
InChIKeyHXQFANVIYCKCIG-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.33
Rot. Bonds3

About 2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone

2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 71836315) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID71836315
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCc1nc2c(c(N(C)CC(=O)N3CCCC3)n1)CCC2
InChIInChI=1S/C15H22N4O/c1-11-16-13-7-5-6-12(13)15(17-11)18(2)10-14(20)19-8-3-4-9-19/h3-10H2,1-2H3
InChIKeyHXQFANVIYCKCIG-UHFFFAOYSA-N
XLogP1.33
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone (CID 71836315) is 2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone is Cc1nc2c(c(N(C)CC(=O)N3CCCC3)n1)CCC2.
What is the InChIKey of 2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is HXQFANVIYCKCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11-16-13-7-5-6-12(13)15(17-11)18(2)10-14(20)19-8-3-4-9-19/h3-10H2,1-2H3.
What are the key properties of 2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 274.37 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 71836315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).