N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine

C12H21N3O — CID 80860283

IUPACN-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(OCC(C)C)c1C(C)C
InChIInChI=1S/C12H21N3O/c1-8(2)6-16-12-10(9(3)4)11(13-5)14-7-15-12/h7-9H,6H2,1-5H3,(H,13,14,15)
InChIKeyRXXMRIPDGXNNOW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.68
Rot. Bonds5

About N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine

N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80860283) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine
PubChem CID80860283
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(OCC(C)C)c1C(C)C
InChIInChI=1S/C12H21N3O/c1-8(2)6-16-12-10(9(3)4)11(13-5)14-7-15-12/h7-9H,6H2,1-5H3,(H,13,14,15)
InChIKeyRXXMRIPDGXNNOW-UHFFFAOYSA-N
XLogP2.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-but-3-enoxy-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80861071
N-methyl-5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794977
N-methyl-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80879887
N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
CID 80874958
4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80765370
6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80875888
6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80864200
6-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80786302
6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80878317
4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80813471
6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 103286435
6-N-methyl-4-N-(3-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804161

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine (CID 80860283) is N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine is CNc1ncnc(OCC(C)C)c1C(C)C.
What is the InChIKey of N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is RXXMRIPDGXNNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)6-16-12-10(9(3)4)11(13-5)14-7-15-12/h7-9H,6H2,1-5H3,(H,13,14,15).
What are the key properties of N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine?
N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80860283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).