5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine

C10H16ClN3O — CID 80883410

IUPAC5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine
SMILESCNc1ncc(Cl)c(OC(C)C(C)C)n1
InChIInChI=1S/C10H16ClN3O/c1-6(2)7(3)15-9-8(11)5-13-10(12-4)14-9/h5-7H,1-4H3,(H,12,13,14)
InChIKeyBHJNPSVZIMHNHS-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.60
Rot. Bonds4

About 5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine

5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine (PubChem CID 80883410) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine
PubChem CID80883410
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine
SMILESCNc1ncc(Cl)c(OC(C)C(C)C)n1
InChIInChI=1S/C10H16ClN3O/c1-6(2)7(3)15-9-8(11)5-13-10(12-4)14-9/h5-7H,1-4H3,(H,12,13,14)
InChIKeyBHJNPSVZIMHNHS-UHFFFAOYSA-N
XLogP2.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine
CID 80879542
(5-chloro-4-propan-2-yloxypyrimidin-2-yl)hydrazine
CID 80913433
4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 107669596
5-chloro-N-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80874319
4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 115403079
5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine
CID 102989311
N,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine
CID 80859947
5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine
CID 107765747
5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine
CID 80858949
4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 80879248
5-chloro-N-methyl-4-(4-methylsulfanylphenoxy)pyrimidin-2-amine
CID 80880698
3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine
CID 102761071

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine (CID 80883410) is 5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine is CNc1ncc(Cl)c(OC(C)C(C)C)n1.
What is the InChIKey of 5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine?
The InChIKey is BHJNPSVZIMHNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-6(2)7(3)15-9-8(11)5-13-10(12-4)14-9/h5-7H,1-4H3,(H,12,13,14).
What are the key properties of 5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine?
5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine has a molecular weight of 229.71 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine is sourced from PubChem (CID 80883410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).