(3R)-3-[(dimethylamino)methyl]-1-(6-ethoxy-2-methylpyrimidin-4-yl)pyrrolidin-3-ol

C14H24N4O2 — CID 164638993

IUPAC(3R)-3-[(dimethylamino)methyl]-1-(6-ethoxy-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCCOc1cc(N2CC[C@@](O)(CN(C)C)C2)nc(C)n1
InChIInChI=1S/C14H24N4O2/c1-5-20-13-8-12(15-11(2)16-13)18-7-6-14(19,10-18)9-17(3)4/h8,19H,5-7,9-10H2,1-4H3/t14-/m1/s1
InChIKeyBVVYKVGKNDZTOG-CQSZACIVSA-N
MW280.37 g/mol
LogP0.69
Rot. Bonds5

About (3R)-3-[(dimethylamino)methyl]-1-(6-ethoxy-2-methylpyrimidin-4-yl)pyrrolidin-3-ol

(3R)-3-[(dimethylamino)methyl]-1-(6-ethoxy-2-methylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 164638993) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (3R)-3-[(dimethylamino)methyl]-1-(6-ethoxy-2-methylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3-[(dimethylamino)methyl]-1-(6-ethoxy-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID164638993
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(3R)-3-[(dimethylamino)methyl]-1-(6-ethoxy-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCCOc1cc(N2CC[C@@](O)(CN(C)C)C2)nc(C)n1
InChIInChI=1S/C14H24N4O2/c1-5-20-13-8-12(15-11(2)16-13)18-7-6-14(19,10-18)9-17(3)4/h8,19H,5-7,9-10H2,1-4H3/t14-/m1/s1
InChIKeyBVVYKVGKNDZTOG-CQSZACIVSA-N
XLogP0.69
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(dimethylamino)methyl]-1-(6-ethoxy-2-methylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-3-[(dimethylamino)methyl]-1-(6-ethoxy-2-methylpyrimidin-4-yl)pyrrolidin-3-ol (CID 164638993) is (3R)-3-[(dimethylamino)methyl]-1-(6-ethoxy-2-methylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-3-[(dimethylamino)methyl]-1-(6-ethoxy-2-methylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-3-[(dimethylamino)methyl]-1-(6-ethoxy-2-methylpyrimidin-4-yl)pyrrolidin-3-ol is CCOc1cc(N2CC[C@@](O)(CN(C)C)C2)nc(C)n1.
What is the InChIKey of (3R)-3-[(dimethylamino)methyl]-1-(6-ethoxy-2-methylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is BVVYKVGKNDZTOG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-5-20-13-8-12(15-11(2)16-13)18-7-6-14(19,10-18)9-17(3)4/h8,19H,5-7,9-10H2,1-4H3/t14-/m1/s1.
What are the key properties of (3R)-3-[(dimethylamino)methyl]-1-(6-ethoxy-2-methylpyrimidin-4-yl)pyrrolidin-3-ol?
(3R)-3-[(dimethylamino)methyl]-1-(6-ethoxy-2-methylpyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 280.37 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(dimethylamino)methyl]-1-(6-ethoxy-2-methylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 164638993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).