4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol

C12H18ClN3O3 — CID 114950333

IUPAC4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1ncnc(Cl)c1CO
InChIInChI=1S/C12H18ClN3O3/c1-16(7-12(18)2-4-19-5-3-12)11-9(6-17)10(13)14-8-15-11/h8,17-18H,2-7H2,1H3
InChIKeyAGCCKRZYAJXEOV-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.60
Rot. Bonds4

About 4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol

4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol (PubChem CID 114950333) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
PubChem CID114950333
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1ncnc(Cl)c1CO
InChIInChI=1S/C12H18ClN3O3/c1-16(7-12(18)2-4-19-5-3-12)11-9(6-17)10(13)14-8-15-11/h8,17-18H,2-7H2,1H3
InChIKeyAGCCKRZYAJXEOV-UHFFFAOYSA-N
XLogP0.60
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954120
4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954252
4-[[(5-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114952153
4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol
CID 114952384
4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 102687057
5-chloro-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136981165
4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954262
4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 102760185
4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114951092
4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol
CID 102769156
4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol
CID 114954159
4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol
CID 114952312

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol (CID 114950333) is 4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)c1ncnc(Cl)c1CO.
What is the InChIKey of 4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol?
The InChIKey is AGCCKRZYAJXEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3/c1-16(7-12(18)2-4-19-5-3-12)11-9(6-17)10(13)14-8-15-11/h8,17-18H,2-7H2,1H3.
What are the key properties of 4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol?
4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol has a molecular weight of 287.75 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114950333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).