4-chloro-N-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

C11H16ClN3 — CID 94674621

IUPAC4-chloro-N-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESCCCN(C)c1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C11H16ClN3/c1-3-7-15(2)11-13-9-6-4-5-8(9)10(12)14-11/h3-7H2,1-2H3
InChIKeyNKQFSMDEQPRDNU-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.46
Rot. Bonds3

About 4-chloro-N-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

4-chloro-N-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (PubChem CID 94674621) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
PubChem CID94674621
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name4-chloro-N-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESCCCN(C)c1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C11H16ClN3/c1-3-7-15(2)11-13-9-6-4-5-8(9)10(12)14-11/h3-7H2,1-2H3
InChIKeyNKQFSMDEQPRDNU-UHFFFAOYSA-N
XLogP2.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (CID 94674621) is 4-chloro-N-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is CCCN(C)c1nc(Cl)c2c(n1)CCC2.
What is the InChIKey of 4-chloro-N-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The InChIKey is NKQFSMDEQPRDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-3-7-15(2)11-13-9-6-4-5-8(9)10(12)14-11/h3-7H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
4-chloro-N-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine has a molecular weight of 225.72 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is sourced from PubChem (CID 94674621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).