5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

C12H17ClN4O — CID 136672454

IUPAC5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(CC2CCCN2)C2CC2)c1Cl
InChIInChI=1S/C12H17ClN4O/c13-10-11(15-7-16-12(10)18)17(9-3-4-9)6-8-2-1-5-14-8/h7-9,14H,1-6H2,(H,15,16,18)
InChIKeyNMGWLGXDAPFBAD-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.14
Rot. Bonds4

About 5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136672454) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136672454
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(CC2CCCN2)C2CC2)c1Cl
InChIInChI=1S/C12H17ClN4O/c13-10-11(15-7-16-12(10)18)17(9-3-4-9)6-8-2-1-5-14-8/h7-9,14H,1-6H2,(H,15,16,18)
InChIKeyNMGWLGXDAPFBAD-UHFFFAOYSA-N
XLogP1.14
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781021
5-chloro-4-[cyclopropyl(propyl)amino]-1H-pyrimidin-6-one
CID 136970750
5-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106640995
5-amino-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 137004380
5-chloro-4-[cycloheptyl(methyl)amino]-1H-pyrimidin-6-one
CID 136970851
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136781005
N-cyclopropyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106641204
5-chloro-4-[methyl-(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 137009267
N-cyclopropyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 106600327
N-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine
CID 106640940
N-cyclopropyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 106641188
7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106641194

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136672454) is 5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is O=c1[nH]cnc(N(CC2CCCN2)C2CC2)c1Cl.
What is the InChIKey of 5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is NMGWLGXDAPFBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c13-10-11(15-7-16-12(10)18)17(9-3-4-9)6-8-2-1-5-14-8/h7-9,14H,1-6H2,(H,15,16,18).
What are the key properties of 5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 268.75 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136672454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).