[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]methyl]oxan-4-yl]methanol

C16H25FN4O3 — CID 50981741

IUPAC[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]methyl]oxan-4-yl]methanol
SMILESCN(CC1(CO)CCOCC1)c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C16H25FN4O3/c1-20(11-16(12-22)2-6-23-7-3-16)15-18-10-13(17)14(19-15)21-4-8-24-9-5-21/h10,22H,2-9,11-12H2,1H3
InChIKeyQQKPYLRCXZFSNP-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.68
Rot. Bonds5

About [4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]methyl]oxan-4-yl]methanol

[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]methyl]oxan-4-yl]methanol (PubChem CID 50981741) has the molecular formula C16H25FN4O3 and a molecular weight of 340.40 g/mol. Its IUPAC name is [4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]methyl]oxan-4-yl]methanol
PubChem CID50981741
Molecular FormulaC16H25FN4O3
Molecular Weight340.40 g/mol
Exact Mass340.19
IUPAC Name[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]methyl]oxan-4-yl]methanol
SMILESCN(CC1(CO)CCOCC1)c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C16H25FN4O3/c1-20(11-16(12-22)2-6-23-7-3-16)15-18-10-13(17)14(19-15)21-4-8-24-9-5-21/h10,22H,2-9,11-12H2,1H3
InChIKeyQQKPYLRCXZFSNP-UHFFFAOYSA-N
XLogP0.68
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-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
2-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
CID 118743010
2-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-methyl-2,8-diazaspiro[4.5]decane
CID 50979248
[1-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 78085923
2-[(2S)-1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol
CID 98770636
(4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)azepan-4-ol
CID 164637120
5-fluoro-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 50950910
(3R*,4R*)-1-[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-4-(hydroxymethyl)-3-piperidinol
CID 56894609
2-{1-Cyclopentyl-4-[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-2-piperazinyl}ethanol
CID 70743374
((3R*,4R*)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-{[(2-methoxyethyl)(methyl)amino]methyl}pyrrolidin-3-yl)methanol
CID 70768224
[3-Allyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 70774214
(3R*,4R*)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol
CID 70781277

Frequently Asked Questions

What is the IUPAC name of [4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]methyl]oxan-4-yl]methanol (CID 50981741) is [4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]methyl]oxan-4-yl]methanol is CN(CC1(CO)CCOCC1)c1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of [4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]methyl]oxan-4-yl]methanol?
The InChIKey is QQKPYLRCXZFSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4O3/c1-20(11-16(12-22)2-6-23-7-3-16)15-18-10-13(17)14(19-15)21-4-8-24-9-5-21/h10,22H,2-9,11-12H2,1H3.
What are the key properties of [4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]methyl]oxan-4-yl]methanol?
[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]methyl]oxan-4-yl]methanol has a molecular weight of 340.40 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 50981741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).