N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine

C12H21N3O — CID 80950560

IUPACN-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(OC(C)(C)C)n1
InChIInChI=1S/C12H21N3O/c1-6-7-9-14-10(13-5)8-11(15-9)16-12(2,3)4/h8H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyWKZIYBFYZSVRAE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.65
Rot. Bonds4

About N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine

N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine (PubChem CID 80950560) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine
PubChem CID80950560
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(OC(C)(C)C)n1
InChIInChI=1S/C12H21N3O/c1-6-7-9-14-10(13-5)8-11(15-9)16-12(2,3)4/h8H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyWKZIYBFYZSVRAE-UHFFFAOYSA-N
XLogP2.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
6-(2-methoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949765
N-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine
CID 80950076
N-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine
CID 80950558
6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949615
[6-(2-methylbutan-2-yloxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80946586
6-(2-ethylbutoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 114208764
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
N-methyl-6-phenylmethoxy-2-propylpyrimidin-4-amine
CID 80950051
6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80946119
6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949696
6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80950205

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine (CID 80950560) is N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(OC(C)(C)C)n1.
What is the InChIKey of N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine?
The InChIKey is WKZIYBFYZSVRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-6-7-9-14-10(13-5)8-11(15-9)16-12(2,3)4/h8H,6-7H2,1-5H3,(H,13,14,15).
What are the key properties of N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine?
N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80950560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).