5-amino-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one

C10H16ClN3O2 — CID 103036362

IUPAC5-amino-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
SMILESCOC(C)(C)CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C10H16ClN3O2/c1-10(2,16-3)4-5-14-6-13-8(11)7(12)9(14)15/h6H,4-5,12H2,1-3H3
InChIKeyMNYHLBMTIUIHPZ-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.29
Rot. Bonds4

About 5-amino-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one

5-amino-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one (PubChem CID 103036362) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
PubChem CID103036362
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name5-amino-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
SMILESCOC(C)(C)CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C10H16ClN3O2/c1-10(2,16-3)4-5-14-6-13-8(11)7(12)9(14)15/h6H,4-5,12H2,1-3H3
InChIKeyMNYHLBMTIUIHPZ-UHFFFAOYSA-N
XLogP1.29
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-6-chloro-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411726
5-Amino-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one
CID 114582454
5-Amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one
CID 114582460
5-Amino-6-chloro-3-(2-methylpentyl)pyrimidin-4-one
CID 114582543
5-Amino-6-chloro-3-(4-methylpentyl)pyrimidin-4-one
CID 114582575
5-Amino-6-chloro-3-(3-methoxypropyl)pyrimidin-4-one
CID 114582591
5-Amino-6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one
CID 114582606
5-Amino-6-chloro-3-(4-methoxybutyl)pyrimidin-4-one
CID 114582607
5-Amino-6-chloro-3-(3-hydroxy-3-methylbutyl)pyrimidin-4-one
CID 114582669
5-Amino-6-chloro-3-(3-methylbutyl)pyrimidin-4-one
CID 114582681
5-Amino-3-butyl-6-chloropyrimidin-4-one
CID 114582684
5-Amino-6-chloro-3-(3-ethoxypropyl)pyrimidin-4-one
CID 114582734

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one (CID 103036362) is 5-amino-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one is COC(C)(C)CCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The InChIKey is MNYHLBMTIUIHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-10(2,16-3)4-5-14-6-13-8(11)7(12)9(14)15/h6H,4-5,12H2,1-3H3.
What are the key properties of 5-amino-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
5-amino-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one has a molecular weight of 245.71 g/mol, XLogP of 1.29, 4 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-(3-methoxy-3-methylbutyl)pyrimidin-4-one is sourced from PubChem (CID 103036362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).