[4-[[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-methylamino]methyl]oxan-4-yl]methanol

C16H28N4O2 — CID 50978853

IUPAC[4-[[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-methylamino]methyl]oxan-4-yl]methanol
SMILESCc1nc(N(C)C)nc(N(C)CC2(CO)CCOCC2)c1C
InChIInChI=1S/C16H28N4O2/c1-12-13(2)17-15(19(3)4)18-14(12)20(5)10-16(11-21)6-8-22-9-7-16/h21H,6-11H2,1-5H3
InChIKeyFTTRNLPMTJOMGV-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.38
Rot. Bonds5

About [4-[[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-methylamino]methyl]oxan-4-yl]methanol

[4-[[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-methylamino]methyl]oxan-4-yl]methanol (PubChem CID 50978853) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is [4-[[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-methylamino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-methylamino]methyl]oxan-4-yl]methanol
PubChem CID50978853
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name[4-[[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-methylamino]methyl]oxan-4-yl]methanol
SMILESCc1nc(N(C)C)nc(N(C)CC2(CO)CCOCC2)c1C
InChIInChI=1S/C16H28N4O2/c1-12-13(2)17-15(19(3)4)18-14(12)20(5)10-16(11-21)6-8-22-9-7-16/h21H,6-11H2,1-5H3
InChIKeyFTTRNLPMTJOMGV-UHFFFAOYSA-N
XLogP1.38
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-{[Methyl(2,5,6-trimethylpyrimidin-4-YL)amino]methyl}cyclobutyl)methanol
CID 72893328
[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 164631085
1-[2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyl]-3-piperidinol trifluoroacetate (salt)
CID 45190787
(4-{[(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)(methyl)amino]methyl}tetrahydro-2H-pyran-4-yl)methanol
CID 56902089
2-[{[(3R*,4R*)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl}(methyl)amino]ethanol
CID 70747135
5,6-dimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 91242314
4-[[2-[2-(Dimethylamino)ethoxy]-5-ethyl-6-methylpyrimidin-4-yl]-ethylamino]butan-1-ol
CID 132163236
2-[Ethyl-(5-ethyl-6-methyl-2-pentoxypyrimidin-4-yl)amino]propan-1-ol
CID 132163461
5,6-dimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine;ethane
CID 143970008
N-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 50969613
(3R*,4R*)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 70711702
((3S*,5R*)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-5-{[(2-methoxyethyl)(methyl)amino]methyl}piperidin-3-yl)methanol
CID 70739530

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-methylamino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-methylamino]methyl]oxan-4-yl]methanol (CID 50978853) is [4-[[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-methylamino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-methylamino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-methylamino]methyl]oxan-4-yl]methanol is Cc1nc(N(C)C)nc(N(C)CC2(CO)CCOCC2)c1C.
What is the InChIKey of [4-[[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-methylamino]methyl]oxan-4-yl]methanol?
The InChIKey is FTTRNLPMTJOMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-12-13(2)17-15(19(3)4)18-14(12)20(5)10-16(11-21)6-8-22-9-7-16/h21H,6-11H2,1-5H3.
What are the key properties of [4-[[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-methylamino]methyl]oxan-4-yl]methanol?
[4-[[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-methylamino]methyl]oxan-4-yl]methanol has a molecular weight of 308.43 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-methylamino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 50978853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).