5-chloro-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one

C12H18ClN3O — CID 136883391

IUPAC5-chloro-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCC2CCCC2)c1Cl
InChIInChI=1S/C12H18ClN3O/c13-10-11(15-8-16-12(10)17)14-7-3-6-9-4-1-2-5-9/h8-9H,1-7H2,(H2,14,15,16,17)
InChIKeyLBEVRJCBKIJLFM-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.81
Rot. Bonds5

About 5-chloro-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one

5-chloro-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one (PubChem CID 136883391) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one
PubChem CID136883391
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name5-chloro-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCC2CCCC2)c1Cl
InChIInChI=1S/C12H18ClN3O/c13-10-11(15-8-16-12(10)17)14-7-3-6-9-4-1-2-5-9/h8-9H,1-7H2,(H2,14,15,16,17)
InChIKeyLBEVRJCBKIJLFM-UHFFFAOYSA-N
XLogP2.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701813
4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one
CID 136704106
5-chloro-4-[2-(2-chloroethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704114
5-chloro-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723582
5-chloro-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731496
5-chloro-4-[[2-(chloromethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136747496
5-chloro-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750469
4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one
CID 136755778
5-chloro-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136825668
5-chloro-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136867382
5-chloro-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136867416
5-bromo-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one
CID 136883389

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one (CID 136883391) is 5-chloro-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCCC2CCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one?
The InChIKey is LBEVRJCBKIJLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c13-10-11(15-8-16-12(10)17)14-7-3-6-9-4-1-2-5-9/h8-9H,1-7H2,(H2,14,15,16,17).
What are the key properties of 5-chloro-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one?
5-chloro-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one has a molecular weight of 255.75 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136883391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).