[(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol

C19H35N5O — CID 70707087

IUPAC[(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCCc1c(C)nc(C)nc1N1C[C@@H](CN(C)CCN(C)C)[C@@H](CO)C1
InChIInChI=1S/C19H35N5O/c1-7-18-14(2)20-15(3)21-19(18)24-11-16(17(12-24)13-25)10-23(6)9-8-22(4)5/h16-17,25H,7-13H2,1-6H3/t16-,17-/m1/s1
InChIKeyXZAGIKMABSLGMZ-IAGOWNOFSA-N
MW349.52 g/mol
LogP1.19
Rot. Bonds8

About [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol

[(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 70707087) has the molecular formula C19H35N5O and a molecular weight of 349.52 g/mol. Its IUPAC name is [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
PubChem CID70707087
Molecular FormulaC19H35N5O
Molecular Weight349.52 g/mol
Exact Mass349.28
IUPAC Name[(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCCc1c(C)nc(C)nc1N1C[C@@H](CN(C)CCN(C)C)[C@@H](CO)C1
InChIInChI=1S/C19H35N5O/c1-7-18-14(2)20-15(3)21-19(18)24-11-16(17(12-24)13-25)10-23(6)9-8-22(4)5/h16-17,25H,7-13H2,1-6H3/t16-,17-/m1/s1
InChIKeyXZAGIKMABSLGMZ-IAGOWNOFSA-N
XLogP1.19
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (CID 70707087) is [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol is CCc1c(C)nc(C)nc1N1C[C@@H](CN(C)CCN(C)C)[C@@H](CO)C1.
What is the InChIKey of [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is XZAGIKMABSLGMZ-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H35N5O/c1-7-18-14(2)20-15(3)21-19(18)24-11-16(17(12-24)13-25)10-23(6)9-8-22(4)5/h16-17,25H,7-13H2,1-6H3/t16-,17-/m1/s1.
What are the key properties of [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
[(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol has a molecular weight of 349.52 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70707087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).