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

C8H10ClN3O2 — CID 136976491

IUPAC5-chloro-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCOC2)c1Cl
InChIInChI=1S/C8H10ClN3O2/c9-6-7(10-4-11-8(6)13)12-5-1-2-14-3-5/h4-5H,1-3H2,(H2,10,11,12,13)
InChIKeyKNOUCKWHWDVGGJ-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.62
Rot. Bonds2

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

5-chloro-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136976491) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 5-chloro-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136976491
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name5-chloro-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCOC2)c1Cl
InChIInChI=1S/C8H10ClN3O2/c9-6-7(10-4-11-8(6)13)12-5-1-2-14-3-5/h4-5H,1-3H2,(H2,10,11,12,13)
InChIKeyKNOUCKWHWDVGGJ-UHFFFAOYSA-N
XLogP0.62
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(oxolan-3-ylamino)-1H-pyrimidin-6-one
CID 133628500
5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706921
4-[3-(2-aminoethoxy)propylamino]-5-chloro-1H-pyrimidin-6-one
CID 136730545
5-chloro-4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764986
4-[(3-amino-4-methoxybutyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136805763
5-chloro-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820292
4-[(1-amino-3-methoxypropan-2-yl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136870582
5-chloro-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870657
5-chloro-4-[(4-chloro-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901078
4-[(4-amino-1-methoxybutan-2-yl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136901098
5-chloro-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901121
5-iodo-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one
CID 136956961

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one (CID 136976491) is 5-chloro-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CCOC2)c1Cl.
What is the InChIKey of 5-chloro-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is KNOUCKWHWDVGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c9-6-7(10-4-11-8(6)13)12-5-1-2-14-3-5/h4-5H,1-3H2,(H2,10,11,12,13).
What are the key properties of 5-chloro-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one?
5-chloro-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 215.64 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136976491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).