(1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol

C13H18N4O3 — CID 100612013

IUPAC(1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol
SMILESCc1noc2ncnc(NC[C@@H](O)C3CCOCC3)c12
InChIInChI=1S/C13H18N4O3/c1-8-11-12(15-7-16-13(11)20-17-8)14-6-10(18)9-2-4-19-5-3-9/h7,9-10,18H,2-6H2,1H3,(H,14,15,16)/t10-/m1/s1
InChIKeyWQNMPSHLCAHJSX-SNVBAGLBSA-N
MW278.31 g/mol
LogP1.13
Rot. Bonds4

About (1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol

(1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol (PubChem CID 100612013) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is (1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol
PubChem CID100612013
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name(1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol
SMILESCc1noc2ncnc(NC[C@@H](O)C3CCOCC3)c12
InChIInChI=1S/C13H18N4O3/c1-8-11-12(15-7-16-13(11)20-17-8)14-6-10(18)9-2-4-19-5-3-9/h7,9-10,18H,2-6H2,1H3,(H,14,15,16)/t10-/m1/s1
InChIKeyWQNMPSHLCAHJSX-SNVBAGLBSA-N
XLogP1.13
TPSA93.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol?
The IUPAC name of (1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol (CID 100612013) is (1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol.
What is the SMILES notation for (1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol?
The canonical SMILES for (1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol is Cc1noc2ncnc(NC[C@@H](O)C3CCOCC3)c12.
What is the InChIKey of (1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol?
The InChIKey is WQNMPSHLCAHJSX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-8-11-12(15-7-16-13(11)20-17-8)14-6-10(18)9-2-4-19-5-3-9/h7,9-10,18H,2-6H2,1H3,(H,14,15,16)/t10-/m1/s1.
What are the key properties of (1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol?
(1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol has a molecular weight of 278.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol is sourced from PubChem (CID 100612013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).