4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine

C12H12Cl2N4O — CID 102949864

IUPAC4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine
SMILESCOc1cc(-c2nc(Cl)c(C(C)C)c(Cl)n2)ncn1
InChIInChI=1S/C12H12Cl2N4O/c1-6(2)9-10(13)17-12(18-11(9)14)7-4-8(19-3)16-5-15-7/h4-6H,1-3H3
InChIKeyCTZOHBUMEVNXNP-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.37
Rot. Bonds3

About 4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine

4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine (PubChem CID 102949864) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine
PubChem CID102949864
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine
SMILESCOc1cc(-c2nc(Cl)c(C(C)C)c(Cl)n2)ncn1
InChIInChI=1S/C12H12Cl2N4O/c1-6(2)9-10(13)17-12(18-11(9)14)7-4-8(19-3)16-5-15-7/h4-6H,1-3H3
InChIKeyCTZOHBUMEVNXNP-UHFFFAOYSA-N
XLogP3.37
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methoxypyrimidin-4-yl)-4-propan-2-ylpyrimidin-5-amine
CID 114207194
4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine
CID 102949860
12-chloro-10-(6-methoxypyrimidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene
CID 102949469
2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 102953176
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102949609
1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 102953000
2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine
CID 102952684
[2-(6-methoxypyrimidin-4-yl)-6-methylpyrimidin-4-yl]methanol
CID 102952908
4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715304
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 102949718
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
CID 102949727
5-fluoro-2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine
CID 102952722

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine (CID 102949864) is 4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine is COc1cc(-c2nc(Cl)c(C(C)C)c(Cl)n2)ncn1.
What is the InChIKey of 4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine?
The InChIKey is CTZOHBUMEVNXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-6(2)9-10(13)17-12(18-11(9)14)7-4-8(19-3)16-5-15-7/h4-6H,1-3H3.
What are the key properties of 4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine?
4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine has a molecular weight of 299.16 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 102949864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).