2-butan-2-yloxy-6-chloropyrimidin-4-amine

C8H12ClN3O — CID 21147458

IUPAC2-butan-2-yloxy-6-chloropyrimidin-4-amine
SMILESCCC(C)Oc1nc(N)cc(Cl)n1
InChIInChI=1S/C8H12ClN3O/c1-3-5(2)13-8-11-6(9)4-7(10)12-8/h4-5H,3H2,1-2H3,(H2,10,11,12)
InChIKeyJBRKWTVLZGFSFA-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.89
Rot. Bonds3

About 2-butan-2-yloxy-6-chloropyrimidin-4-amine

2-butan-2-yloxy-6-chloropyrimidin-4-amine (PubChem CID 21147458) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-butan-2-yloxy-6-chloropyrimidin-4-amine.

Molecular Properties

Compound Name2-butan-2-yloxy-6-chloropyrimidin-4-amine
PubChem CID21147458
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name2-butan-2-yloxy-6-chloropyrimidin-4-amine
SMILESCCC(C)Oc1nc(N)cc(Cl)n1
InChIInChI=1S/C8H12ClN3O/c1-3-5(2)13-8-11-6(9)4-7(10)12-8/h4-5H,3H2,1-2H3,(H2,10,11,12)
InChIKeyJBRKWTVLZGFSFA-UHFFFAOYSA-N
XLogP1.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butan-2-yloxy-6-chloro-2-methylsulfanylpyrimidine
CID 80544459
4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine
CID 129367902
4,6-dichloro-2-propan-2-yloxypyrimidine
CID 75132209
4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine
CID 80867376
5-[(2S)-butan-2-yl]oxy-3-chloropyridazine
CID 86335315
6-bromo-2-octan-2-yloxypyrimidin-4-amine
CID 116797551
6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80866087
4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80866278
6-butan-2-yloxy-2-phenylpyrimidin-4-amine
CID 112559900
4-chloro-6-pentan-2-yloxy-1,3,5-triazin-2-amine
CID 102989508
1-butan-2-yloxy-2,4,5-trichlorobenzene
CID 518247
6-bromo-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 116797954

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-6-chloropyrimidin-4-amine?
The IUPAC name of 2-butan-2-yloxy-6-chloropyrimidin-4-amine (CID 21147458) is 2-butan-2-yloxy-6-chloropyrimidin-4-amine.
What is the SMILES notation for 2-butan-2-yloxy-6-chloropyrimidin-4-amine?
The canonical SMILES for 2-butan-2-yloxy-6-chloropyrimidin-4-amine is CCC(C)Oc1nc(N)cc(Cl)n1.
What is the InChIKey of 2-butan-2-yloxy-6-chloropyrimidin-4-amine?
The InChIKey is JBRKWTVLZGFSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-3-5(2)13-8-11-6(9)4-7(10)12-8/h4-5H,3H2,1-2H3,(H2,10,11,12).
What are the key properties of 2-butan-2-yloxy-6-chloropyrimidin-4-amine?
2-butan-2-yloxy-6-chloropyrimidin-4-amine has a molecular weight of 201.66 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-6-chloropyrimidin-4-amine is sourced from PubChem (CID 21147458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).