5-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]methyl]-6-methoxypyrimidin-4-amine

C14H21N5O2 — CID 97240281

IUPAC5-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1ncnc(N)c1CNC[C@@H](C)c1c(C)noc1C
InChIInChI=1S/C14H21N5O2/c1-8(12-9(2)19-21-10(12)3)5-16-6-11-13(15)17-7-18-14(11)20-4/h7-8,16H,5-6H2,1-4H3,(H2,15,17,18)/t8-/m1/s1
InChIKeySZAOFEYZYRYGPW-MRVPVSSYSA-N
MW291.36 g/mol
LogP1.57
Rot. Bonds6

About 5-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]methyl]-6-methoxypyrimidin-4-amine

5-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]methyl]-6-methoxypyrimidin-4-amine (PubChem CID 97240281) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 5-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]methyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]methyl]-6-methoxypyrimidin-4-amine
PubChem CID97240281
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name5-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1ncnc(N)c1CNC[C@@H](C)c1c(C)noc1C
InChIInChI=1S/C14H21N5O2/c1-8(12-9(2)19-21-10(12)3)5-16-6-11-13(15)17-7-18-14(11)20-4/h7-8,16H,5-6H2,1-4H3,(H2,15,17,18)/t8-/m1/s1
InChIKeySZAOFEYZYRYGPW-MRVPVSSYSA-N
XLogP1.57
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]methyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of 5-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]methyl]-6-methoxypyrimidin-4-amine (CID 97240281) is 5-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]methyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for 5-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]methyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for 5-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]methyl]-6-methoxypyrimidin-4-amine is COc1ncnc(N)c1CNC[C@@H](C)c1c(C)noc1C.
What is the InChIKey of 5-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]methyl]-6-methoxypyrimidin-4-amine?
The InChIKey is SZAOFEYZYRYGPW-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-8(12-9(2)19-21-10(12)3)5-16-6-11-13(15)17-7-18-14(11)20-4/h7-8,16H,5-6H2,1-4H3,(H2,15,17,18)/t8-/m1/s1.
What are the key properties of 5-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]methyl]-6-methoxypyrimidin-4-amine?
5-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]methyl]-6-methoxypyrimidin-4-amine has a molecular weight of 291.36 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]methyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 97240281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).