[4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]methyl]oxan-4-yl]methanol

C14H23FN4O2 — CID 72889531

IUPAC[4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]methyl]oxan-4-yl]methanol
SMILESCN(C)c1nc(N(C)CC2(CO)CCOCC2)ncc1F
InChIInChI=1S/C14H23FN4O2/c1-18(2)12-11(15)8-16-13(17-12)19(3)9-14(10-20)4-6-21-7-5-14/h8,20H,4-7,9-10H2,1-3H3
InChIKeySSXQYTZPPPQVKB-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.91
Rot. Bonds5

About [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]methyl]oxan-4-yl]methanol

[4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]methyl]oxan-4-yl]methanol (PubChem CID 72889531) has the molecular formula C14H23FN4O2 and a molecular weight of 298.36 g/mol. Its IUPAC name is [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]methyl]oxan-4-yl]methanol
PubChem CID72889531
Molecular FormulaC14H23FN4O2
Molecular Weight298.36 g/mol
Exact Mass298.18
IUPAC Name[4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]methyl]oxan-4-yl]methanol
SMILESCN(C)c1nc(N(C)CC2(CO)CCOCC2)ncc1F
InChIInChI=1S/C14H23FN4O2/c1-18(2)12-11(15)8-16-13(17-12)19(3)9-14(10-20)4-6-21-7-5-14/h8,20H,4-7,9-10H2,1-3H3
InChIKeySSXQYTZPPPQVKB-UHFFFAOYSA-N
XLogP0.91
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]methyl]oxan-4-yl]methanol with MolForge

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Related Compounds

[1-[5-Fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72916904
(4-{[(5-ethyl-2-methylpyrimidin-4-yl)(methyl)amino]methyl}tetrahydro-2H-pyran-4-yl)methanol
CID 50982053
(4S)-1-[5-fluoro-4-(methylamino)-2-pyrimidinyl]-4-(methoxymethyl)-3,3-dimethyl-4-piperidinol
CID 72896274
[1-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 78085923
(1-{[(5-Fluoropyrimidin-2-yl)(methyl)amino]methyl}cyclopentyl)methanol
CID 131947034
[1-(2-Chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol
CID 57990270
[1-(2-Amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol
CID 70980397
[4-[[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]methyl]oxan-4-yl]methanol
CID 50981741
((3R*,4R*)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-{[(2-methoxyethyl)(methyl)amino]methyl}pyrrolidin-3-yl)methanol
CID 70768224
(3R*,4R*)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol
CID 70781277
2-chloro-5-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
CID 79075902
[1-[5-Fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80756041

Frequently Asked Questions

What is the IUPAC name of [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]methyl]oxan-4-yl]methanol (CID 72889531) is [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]methyl]oxan-4-yl]methanol is CN(C)c1nc(N(C)CC2(CO)CCOCC2)ncc1F.
What is the InChIKey of [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]methyl]oxan-4-yl]methanol?
The InChIKey is SSXQYTZPPPQVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4O2/c1-18(2)12-11(15)8-16-13(17-12)19(3)9-14(10-20)4-6-21-7-5-14/h8,20H,4-7,9-10H2,1-3H3.
What are the key properties of [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]methyl]oxan-4-yl]methanol?
[4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]methyl]oxan-4-yl]methanol has a molecular weight of 298.36 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 72889531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).