4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine

C13H23N3O — CID 112636615

IUPAC4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NC(C)C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-8(2)11(6)15-13-14-10(5)7-12(16-13)17-9(3)4/h7-9,11H,1-6H3,(H,14,15,16)
InChIKeyFBYGMNHVWPJXLV-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.03
Rot. Bonds5

About 4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine

4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 112636615) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
PubChem CID112636615
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NC(C)C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-8(2)11(6)15-13-14-10(5)7-12(16-13)17-9(3)4/h7-9,11H,1-6H3,(H,14,15,16)
InChIKeyFBYGMNHVWPJXLV-UHFFFAOYSA-N
XLogP3.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-chloro-3-methylbutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635672
N-(4-chlorobutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635800
4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine
CID 113466642
1-N,1-N-diethyl-2-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine
CID 115974900
4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 112637072
3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 113495849
4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 115975028
4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine
CID 130009210
N-[1-(2-fluorophenyl)ethyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 115974766
4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine
CID 115974911
N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 102698965
2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol
CID 107851350

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of 4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine (CID 112636615) is 4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine is Cc1cc(OC(C)C)nc(NC(C)C(C)C)n1.
What is the InChIKey of 4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is FBYGMNHVWPJXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-8(2)11(6)15-13-14-10(5)7-12(16-13)17-9(3)4/h7-9,11H,1-6H3,(H,14,15,16).
What are the key properties of 4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine?
4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112636615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).