2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol

C12H20N4O2 — CID 114143795

IUPAC2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
SMILESCNc1ncnc(NCC2(O)CCOC2C)c1C
InChIInChI=1S/C12H20N4O2/c1-8-10(13-3)15-7-16-11(8)14-6-12(17)4-5-18-9(12)2/h7,9,17H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyNPDCFVNTFVHXKU-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.78
Rot. Bonds4

About 2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol

2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol (PubChem CID 114143795) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
PubChem CID114143795
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
SMILESCNc1ncnc(NCC2(O)CCOC2C)c1C
InChIInChI=1S/C12H20N4O2/c1-8-10(13-3)15-7-16-11(8)14-6-12(17)4-5-18-9(12)2/h7,9,17H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyNPDCFVNTFVHXKU-UHFFFAOYSA-N
XLogP0.78
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol (CID 114143795) is 2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol is CNc1ncnc(NCC2(O)CCOC2C)c1C.
What is the InChIKey of 2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol?
The InChIKey is NPDCFVNTFVHXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-10(13-3)15-7-16-11(8)14-6-12(17)4-5-18-9(12)2/h7,9,17H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol?
2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol has a molecular weight of 252.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 114143795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).