6-methoxy-2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine

C17H31N3O — CID 82457971

IUPAC6-methoxy-2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
SMILESCOc1cc(NC(C)(C)CC(C)(C)C)nc(CC(C)C)n1
InChIInChI=1S/C17H31N3O/c1-12(2)9-13-18-14(10-15(19-13)21-8)20-17(6,7)11-16(3,4)5/h10,12H,9,11H2,1-8H3,(H,18,19,20)
InChIKeyMAKLBSHUSUOAIP-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.31
Rot. Bonds6

About 6-methoxy-2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine

6-methoxy-2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine (PubChem CID 82457971) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 6-methoxy-2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
PubChem CID82457971
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name6-methoxy-2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
SMILESCOc1cc(NC(C)(C)CC(C)(C)C)nc(CC(C)C)n1
InChIInChI=1S/C17H31N3O/c1-12(2)9-13-18-14(10-15(19-13)21-8)20-17(6,7)11-16(3,4)5/h10,12H,9,11H2,1-8H3,(H,18,19,20)
InChIKeyMAKLBSHUSUOAIP-UHFFFAOYSA-N
XLogP4.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 82457957
N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82457964
6-methoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
CID 82457982
N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine
CID 82457973
N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458000
6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 82457974
6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458095
2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine
CID 113284026
N-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456699
6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
CID 82458025
2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
CID 80955169
6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 135201749

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine (CID 82457971) is 6-methoxy-2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine is COc1cc(NC(C)(C)CC(C)(C)C)nc(CC(C)C)n1.
What is the InChIKey of 6-methoxy-2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine?
The InChIKey is MAKLBSHUSUOAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-12(2)9-13-18-14(10-15(19-13)21-8)20-17(6,7)11-16(3,4)5/h10,12H,9,11H2,1-8H3,(H,18,19,20).
What are the key properties of 6-methoxy-2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine?
6-methoxy-2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine has a molecular weight of 293.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 82457971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).