2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C11H12ClN5 — CID 58398870

IUPAC2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCn1cnc(Nc2nc(Cl)nc3c2CCC3)c1
InChIInChI=1S/C11H12ClN5/c1-17-5-9(13-6-17)15-10-7-3-2-4-8(7)14-11(12)16-10/h5-6H,2-4H2,1H3,(H,14,15,16)
InChIKeyNWNHYFJPNODYTG-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.10
Rot. Bonds2

About 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 58398870) has the molecular formula C11H12ClN5 and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID58398870
Molecular FormulaC11H12ClN5
Molecular Weight249.70 g/mol
Exact Mass249.08
IUPAC Name2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCn1cnc(Nc2nc(Cl)nc3c2CCC3)c1
InChIInChI=1S/C11H12ClN5/c1-17-5-9(13-6-17)15-10-7-3-2-4-8(7)14-11(12)16-10/h5-6H,2-4H2,1H3,(H,14,15,16)
InChIKeyNWNHYFJPNODYTG-UHFFFAOYSA-N
XLogP2.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 58398870) is 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cn1cnc(Nc2nc(Cl)nc3c2CCC3)c1.
What is the InChIKey of 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is NWNHYFJPNODYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5/c1-17-5-9(13-6-17)15-10-7-3-2-4-8(7)14-11(12)16-10/h5-6H,2-4H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 249.70 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 58398870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).