5-amino-6-chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one

C10H14ClN3O2 — CID 114582510

IUPAC5-amino-6-chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC2CCOCC2)c1=O
InChIInChI=1S/C10H14ClN3O2/c11-9-8(12)10(15)14(6-13-9)5-7-1-3-16-4-2-7/h6-7H,1-5,12H2
InChIKeyPAOSNSOGEUWQKH-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.91
Rot. Bonds2

About 5-amino-6-chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one

5-amino-6-chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one (PubChem CID 114582510) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one
PubChem CID114582510
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-amino-6-chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC2CCOCC2)c1=O
InChIInChI=1S/C10H14ClN3O2/c11-9-8(12)10(15)14(6-13-9)5-7-1-3-16-4-2-7/h6-7H,1-5,12H2
InChIKeyPAOSNSOGEUWQKH-UHFFFAOYSA-N
XLogP0.91
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-6-chloro-3-(oxan-3-yl)pyrimidin-4-one
CID 107137207
6-Chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one
CID 114582071
5-Amino-6-chloro-3-(4-methoxybutyl)pyrimidin-4-one
CID 114582607
5-Amino-6-chloro-3-(oxan-4-yl)pyrimidin-4-one
CID 114582689
5-Amino-6-chloro-3-(oxolan-3-ylmethyl)pyrimidin-4-one
CID 114582720
5,6-Dichloro-3-(oxan-4-ylmethyl)pyrimidin-4-one
CID 114582938
6-Chloro-5-iodo-3-(oxan-4-ylmethyl)pyrimidin-4-one
CID 114583793
5-Amino-1-(oxan-4-ylmethyl)pyrimidin-4-one
CID 115114270

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one (CID 114582510) is 5-amino-6-chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one is Nc1c(Cl)ncn(CC2CCOCC2)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one?
The InChIKey is PAOSNSOGEUWQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c11-9-8(12)10(15)14(6-13-9)5-7-1-3-16-4-2-7/h6-7H,1-5,12H2.
What are the key properties of 5-amino-6-chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one?
5-amino-6-chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one has a molecular weight of 243.69 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 114582510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).