[3-[[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol

C13H22N4O2 — CID 110019569

IUPAC[3-[[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol
SMILESCN(Cc1cnc(N(C)C)nc1)CC1(CO)COC1
InChIInChI=1S/C13H22N4O2/c1-16(2)12-14-4-11(5-15-12)6-17(3)7-13(8-18)9-19-10-13/h4-5,18H,6-10H2,1-3H3
InChIKeyPOBDIOXXCOTKFG-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.02
Rot. Bonds6

About [3-[[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol

[3-[[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol (PubChem CID 110019569) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [3-[[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol
PubChem CID110019569
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name[3-[[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol
SMILESCN(Cc1cnc(N(C)C)nc1)CC1(CO)COC1
InChIInChI=1S/C13H22N4O2/c1-16(2)12-14-4-11(5-15-12)6-17(3)7-13(8-18)9-19-10-13/h4-5,18H,6-10H2,1-3H3
InChIKeyPOBDIOXXCOTKFG-UHFFFAOYSA-N
XLogP-0.02
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 111976476
[3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 115249023
[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976688
[3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976506
[1-[[[2-(furan-2-yl)pyrimidin-5-yl]methyl-methylamino]methyl]cyclopentyl]methanol
CID 56717276
[3-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976726
[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol
CID 62271267
[3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976549
[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol
CID 115248876
[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol
CID 55241090
N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 99576651
[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62267034

Frequently Asked Questions

What is the IUPAC name of [3-[[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol (CID 110019569) is [3-[[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol is CN(Cc1cnc(N(C)C)nc1)CC1(CO)COC1.
What is the InChIKey of [3-[[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol?
The InChIKey is POBDIOXXCOTKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16(2)12-14-4-11(5-15-12)6-17(3)7-13(8-18)9-19-10-13/h4-5,18H,6-10H2,1-3H3.
What are the key properties of [3-[[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol?
[3-[[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol has a molecular weight of 266.34 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 110019569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).