2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide

C18H22ClN5O — CID 157029926

IUPAC2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1nc(-c2cc(Cl)ccn2)nc2c1CCC2
InChIInChI=1S/C18H22ClN5O/c1-11(2)21-16(25)10-24(3)18-13-5-4-6-14(13)22-17(23-18)15-9-12(19)7-8-20-15/h7-9,11H,4-6,10H2,1-3H3,(H,21,25)
InChIKeyYPGBUJFNYHYLHL-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.64
Rot. Bonds5

About 2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide

2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 157029926) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
PubChem CID157029926
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC Name2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1nc(-c2cc(Cl)ccn2)nc2c1CCC2
InChIInChI=1S/C18H22ClN5O/c1-11(2)21-16(25)10-24(3)18-13-5-4-6-14(13)22-17(23-18)15-9-12(19)7-8-20-15/h7-9,11H,4-6,10H2,1-3H3,(H,21,25)
InChIKeyYPGBUJFNYHYLHL-UHFFFAOYSA-N
XLogP2.64
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide (CID 157029926) is 2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)c1nc(-c2cc(Cl)ccn2)nc2c1CCC2.
What is the InChIKey of 2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is YPGBUJFNYHYLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c1-11(2)21-16(25)10-24(3)18-13-5-4-6-14(13)22-17(23-18)15-9-12(19)7-8-20-15/h7-9,11H,4-6,10H2,1-3H3,(H,21,25).
What are the key properties of 2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 359.86 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 157029926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).