3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol

C15H18N4O2 — CID 106103286

IUPAC3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
SMILESNc1cc(NCC2(O)CCOC2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O2/c16-12-8-13(17-9-15(20)6-7-21-10-15)19-14(18-12)11-4-2-1-3-5-11/h1-5,8,20H,6-7,9-10H2,(H3,16,17,18,19)
InChIKeyQOHVODGDSWUMOS-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.29
Rot. Bonds4

About 3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol

3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol (PubChem CID 106103286) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
PubChem CID106103286
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
SMILESNc1cc(NCC2(O)CCOC2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O2/c16-12-8-13(17-9-15(20)6-7-21-10-15)19-14(18-12)11-4-2-1-3-5-11/h1-5,8,20H,6-7,9-10H2,(H3,16,17,18,19)
InChIKeyQOHVODGDSWUMOS-UHFFFAOYSA-N
XLogP1.29
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol (CID 106103286) is 3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol is Nc1cc(NCC2(O)CCOC2)nc(-c2ccccc2)n1.
What is the InChIKey of 3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The InChIKey is QOHVODGDSWUMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-12-8-13(17-9-15(20)6-7-21-10-15)19-14(18-12)11-4-2-1-3-5-11/h1-5,8,20H,6-7,9-10H2,(H3,16,17,18,19).
What are the key properties of 3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol?
3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol has a molecular weight of 286.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106103286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).