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

C15H18N4O2 — CID 154751499

IUPAC3-[[(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
SMILESCc1nc(NCC2(O)CCOC2)cc(-c2ccncc2)n1
InChIInChI=1S/C15H18N4O2/c1-11-18-13(12-2-5-16-6-3-12)8-14(19-11)17-9-15(20)4-7-21-10-15/h2-3,5-6,8,20H,4,7,9-10H2,1H3,(H,17,18,19)
InChIKeyMVNVNGKKMTUJLP-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.41
Rot. Bonds4

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

3-[[(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol (PubChem CID 154751499) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[[(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
PubChem CID154751499
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-[[(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
SMILESCc1nc(NCC2(O)CCOC2)cc(-c2ccncc2)n1
InChIInChI=1S/C15H18N4O2/c1-11-18-13(12-2-5-16-6-3-12)8-14(19-11)17-9-15(20)4-7-21-10-15/h2-3,5-6,8,20H,4,7,9-10H2,1H3,(H,17,18,19)
InChIKeyMVNVNGKKMTUJLP-UHFFFAOYSA-N
XLogP1.41
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol (CID 154751499) is 3-[[(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol is Cc1nc(NCC2(O)CCOC2)cc(-c2ccncc2)n1.
What is the InChIKey of 3-[[(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The InChIKey is MVNVNGKKMTUJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-18-13(12-2-5-16-6-3-12)8-14(19-11)17-9-15(20)4-7-21-10-15/h2-3,5-6,8,20H,4,7,9-10H2,1H3,(H,17,18,19).
What are the key properties of 3-[[(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol?
3-[[(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol has a molecular weight of 286.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 154751499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).