4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine

C13H18N4O2 — CID 112637367

IUPAC4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(CNc2nc(C)cc(OC(C)C)n2)on1
InChIInChI=1S/C13H18N4O2/c1-8(2)18-12-6-9(3)15-13(16-12)14-7-11-5-10(4)17-19-11/h5-6,8H,7H2,1-4H3,(H,14,15,16)
InChIKeyIUZPACFHMKSLBJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.48
Rot. Bonds5

About 4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine

4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 112637367) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine
PubChem CID112637367
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(CNc2nc(C)cc(OC(C)C)n2)on1
InChIInChI=1S/C13H18N4O2/c1-8(2)18-12-6-9(3)15-13(16-12)14-7-11-5-10(4)17-19-11/h5-6,8H,7H2,1-4H3,(H,14,15,16)
InChIKeyIUZPACFHMKSLBJ-UHFFFAOYSA-N
XLogP2.48
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62862594
N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 102698965
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637759
4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
CID 50959013
2-methyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112634458
4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine
CID 107159428
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 107318107
4-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine
CID 112637652
N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106048616
4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 112636615

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine (CID 112637367) is 4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine is Cc1cc(CNc2nc(C)cc(OC(C)C)n2)on1.
What is the InChIKey of 4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is IUZPACFHMKSLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8(2)18-12-6-9(3)15-13(16-12)14-7-11-5-10(4)17-19-11/h5-6,8H,7H2,1-4H3,(H,14,15,16).
What are the key properties of 4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine?
4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 262.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112637367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).