3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol

C10H16N4O2 — CID 106103235

IUPAC3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1ccnc(N)n1
InChIInChI=1S/C10H16N4O2/c1-7-10(15,3-5-16-7)6-13-8-2-4-12-9(11)14-8/h2,4,7,15H,3,5-6H2,1H3,(H3,11,12,13,14)
InChIKeyNABPHRVPGYRXEE-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.01
Rot. Bonds3

About 3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol

3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106103235) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID106103235
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1ccnc(N)n1
InChIInChI=1S/C10H16N4O2/c1-7-10(15,3-5-16-7)6-13-8-2-4-12-9(11)14-8/h2,4,7,15H,3,5-6H2,1H3,(H3,11,12,13,14)
InChIKeyNABPHRVPGYRXEE-UHFFFAOYSA-N
XLogP0.01
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol with MolForge

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Related Compounds

3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 107269638
3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol
CID 106099652
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114143620
6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid
CID 114143627
3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile
CID 106099685
3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
CID 106099560
2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol
CID 106103458
3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol
CID 106099631
1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80842262
2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
CID 106102253
[1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115366395
3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
CID 114143335

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol (CID 106103235) is 3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNc1ccnc(N)n1.
What is the InChIKey of 3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is NABPHRVPGYRXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-10(15,3-5-16-7)6-13-8-2-4-12-9(11)14-8/h2,4,7,15H,3,5-6H2,1H3,(H3,11,12,13,14).
What are the key properties of 3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 224.26 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106103235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).