N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine

C9H15N3O — CID 62958383

IUPACN-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine
SMILESCOCC(C)Nc1nccc(C)n1
InChIInChI=1S/C9H15N3O/c1-7-4-5-10-9(11-7)12-8(2)6-13-3/h4-5,8H,6H2,1-3H3,(H,10,11,12)
InChIKeyVRJOLGJRKOSXTJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.23
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine

N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine (PubChem CID 62958383) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine
PubChem CID62958383
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine
SMILESCOCC(C)Nc1nccc(C)n1
InChIInChI=1S/C9H15N3O/c1-7-4-5-10-9(11-7)12-8(2)6-13-3/h4-5,8H,6H2,1-3H3,(H,10,11,12)
InChIKeyVRJOLGJRKOSXTJ-UHFFFAOYSA-N
XLogP1.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 115637582
4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine
CID 62959456
2-N-ethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
CID 80786237
N-(2-methoxy-2-methylpropyl)-4-methylpyrimidin-2-amine
CID 115658471
N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-methylpyrimidin-2-amine
CID 133309382
4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 112688333
N-but-3-en-2-yl-4-methylpyrimidin-2-amine
CID 115691968
4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine
CID 62958041
1-(4-methoxyphenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-3-methylurea
CID 11551940
1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-(4-methylphenyl)-1-phenylurea
CID 69206727
4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103703910
1-(4-fluorophenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-3-propan-2-ylurea
CID 11501394

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine (CID 62958383) is N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine is COCC(C)Nc1nccc(C)n1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine?
The InChIKey is VRJOLGJRKOSXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-4-5-10-9(11-7)12-8(2)6-13-3/h4-5,8H,6H2,1-3H3,(H,10,11,12).
What are the key properties of N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine?
N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine has a molecular weight of 181.24 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 62958383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).