4-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine

C15H20N4O2 — CID 95857500

IUPAC4-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine
SMILESCOC[C@H](C)Nc1ncc(-c2cc(C)no2)c(C2CC2)n1
InChIInChI=1S/C15H20N4O2/c1-9-6-13(21-19-9)12-7-16-15(17-10(2)8-20-3)18-14(12)11-4-5-11/h6-7,10-11H,4-5,8H2,1-3H3,(H,16,17,18)/t10-/m0/s1
InChIKeyVPXQSPLPLJRQFC-JTQLQIEISA-N
MW288.35 g/mol
LogP2.76
Rot. Bonds6

About 4-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine

4-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine (PubChem CID 95857500) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine
PubChem CID95857500
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine
SMILESCOC[C@H](C)Nc1ncc(-c2cc(C)no2)c(C2CC2)n1
InChIInChI=1S/C15H20N4O2/c1-9-6-13(21-19-9)12-7-16-15(17-10(2)8-20-3)18-14(12)11-4-5-11/h6-7,10-11H,4-5,8H2,1-3H3,(H,16,17,18)/t10-/m0/s1
InChIKeyVPXQSPLPLJRQFC-JTQLQIEISA-N
XLogP2.76
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine (CID 95857500) is 4-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine is COC[C@H](C)Nc1ncc(-c2cc(C)no2)c(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine?
The InChIKey is VPXQSPLPLJRQFC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9-6-13(21-19-9)12-7-16-15(17-10(2)8-20-3)18-14(12)11-4-5-11/h6-7,10-11H,4-5,8H2,1-3H3,(H,16,17,18)/t10-/m0/s1.
What are the key properties of 4-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine?
4-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine has a molecular weight of 288.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 95857500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).