6-chloro-5-methoxy-2-propan-2-ylpyrimidin-4-amine

C8H12ClN3O — CID 166128960

IUPAC6-chloro-5-methoxy-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1c(N)nc(C(C)C)nc1Cl
InChIInChI=1S/C8H12ClN3O/c1-4(2)8-11-6(9)5(13-3)7(10)12-8/h4H,1-3H3,(H2,10,11,12)
InChIKeyGBPTXHPOFXRPKH-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.84
Rot. Bonds2

About 6-chloro-5-methoxy-2-propan-2-ylpyrimidin-4-amine

6-chloro-5-methoxy-2-propan-2-ylpyrimidin-4-amine (PubChem CID 166128960) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 6-chloro-5-methoxy-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methoxy-2-propan-2-ylpyrimidin-4-amine
PubChem CID166128960
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name6-chloro-5-methoxy-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1c(N)nc(C(C)C)nc1Cl
InChIInChI=1S/C8H12ClN3O/c1-4(2)8-11-6(9)5(13-3)7(10)12-8/h4H,1-3H3,(H2,10,11,12)
InChIKeyGBPTXHPOFXRPKH-UHFFFAOYSA-N
XLogP1.84
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-7-methoxy-2-propan-2-ylquinazoline
CID 106584178
4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine
CID 79033231
6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80974618
4,6-dichloro-5-propan-2-yloxypyrimidin-2-amine
CID 163243179
2-propan-2-ylbenzo[g]quinazolin-4-amine
CID 106583882
7-bromo-4-chloro-2-propan-2-ylquinazoline
CID 53404537
2,5-dichloro-4-methoxypyridin-3-amine
CID 676127
6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988642
6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988180
4-chloro-2-(difluoromethyl)-6-methoxypyrimidin-5-amine
CID 171716703
3-chloro-6-methoxypyrazin-2-amine
CID 11701087
3,5-dichloro-6-methoxypyrazin-2-amine
CID 86014739

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methoxy-2-propan-2-ylpyrimidin-4-amine (CID 166128960) is 6-chloro-5-methoxy-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methoxy-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methoxy-2-propan-2-ylpyrimidin-4-amine is COc1c(N)nc(C(C)C)nc1Cl.
What is the InChIKey of 6-chloro-5-methoxy-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is GBPTXHPOFXRPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-4(2)8-11-6(9)5(13-3)7(10)12-8/h4H,1-3H3,(H2,10,11,12).
What are the key properties of 6-chloro-5-methoxy-2-propan-2-ylpyrimidin-4-amine?
6-chloro-5-methoxy-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 201.66 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 166128960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).