5-chloro-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one

C14H22ClN3O — CID 136976376

IUPAC5-chloro-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one
SMILESCC(C)CC1(CNc2nc[nH]c(=O)c2Cl)CCCC1
InChIInChI=1S/C14H22ClN3O/c1-10(2)7-14(5-3-4-6-14)8-16-12-11(15)13(19)18-9-17-12/h9-10H,3-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyAYLFULQKUAVRRG-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.44
Rot. Bonds5

About 5-chloro-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one

5-chloro-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136976376) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 5-chloro-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136976376
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name5-chloro-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one
SMILESCC(C)CC1(CNc2nc[nH]c(=O)c2Cl)CCCC1
InChIInChI=1S/C14H22ClN3O/c1-10(2)7-14(5-3-4-6-14)8-16-12-11(15)13(19)18-9-17-12/h9-10H,3-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyAYLFULQKUAVRRG-UHFFFAOYSA-N
XLogP3.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one (CID 136976376) is 5-chloro-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one is CC(C)CC1(CNc2nc[nH]c(=O)c2Cl)CCCC1.
What is the InChIKey of 5-chloro-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is AYLFULQKUAVRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10(2)7-14(5-3-4-6-14)8-16-12-11(15)13(19)18-9-17-12/h9-10H,3-8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-chloro-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one?
5-chloro-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 283.80 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).