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

C10H14ClN3O2 — CID 107269638

IUPAC3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1ccnc(Cl)n1
InChIInChI=1S/C10H14ClN3O2/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,(H,12,13,14)
InChIKeyITLOIGMBUULVOG-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.08
Rot. Bonds3

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

3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 107269638) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID107269638
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1ccnc(Cl)n1
InChIInChI=1S/C10H14ClN3O2/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,(H,12,13,14)
InChIKeyITLOIGMBUULVOG-UHFFFAOYSA-N
XLogP1.08
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103235
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114143620
2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 103761593
6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid
CID 114143627
1-[[(2-chloropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 65122552
2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol
CID 106103458
3-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol
CID 106099652
3-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol
CID 106102769
2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
CID 106102253
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675570
3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 114143769
3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile
CID 106099685

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol (CID 107269638) is 3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNc1ccnc(Cl)n1.
What is the InChIKey of 3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is ITLOIGMBUULVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/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,(H,12,13,14).
What are the key properties of 3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 243.69 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107269638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).