(3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

C18H25N5O — CID 135110326

IUPAC(3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESCc1nc(N(C)C)nc(N2C[C@@H](Cc3ccncc3)[C@@H](O)C2)c1C
InChIInChI=1S/C18H25N5O/c1-12-13(2)20-18(22(3)4)21-17(12)23-10-15(16(24)11-23)9-14-5-7-19-8-6-14/h5-8,15-16,24H,9-11H2,1-4H3/t15-,16+/m1/s1
InChIKeyUIGBKXSVRNSXBX-CVEARBPZSA-N
MW327.43 g/mol
LogP1.59
Rot. Bonds4

About (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

(3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 135110326) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID135110326
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESCc1nc(N(C)C)nc(N2C[C@@H](Cc3ccncc3)[C@@H](O)C2)c1C
InChIInChI=1S/C18H25N5O/c1-12-13(2)20-18(22(3)4)21-17(12)23-10-15(16(24)11-23)9-14-5-7-19-8-6-14/h5-8,15-16,24H,9-11H2,1-4H3/t15-,16+/m1/s1
InChIKeyUIGBKXSVRNSXBX-CVEARBPZSA-N
XLogP1.59
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol with MolForge

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Related Compounds

(3R,4R)-1-(2,6-dimethyl-4-pyridinyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 135099500
(3S,4R)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 135092467
(3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 155502098
4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
CID 95135878
(3R,4R)-4-(pyridin-4-ylmethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]pyrrolidin-3-ol
CID 155918716
2-N,2-N,4-N,5,6-pentamethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 50951636
ethyl 4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxylate
CID 50975980
(3aS,6aS)-2-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-6-oxo-5-prop-2-enyl-1,3,4,6a-tetrahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 56913852
(3S,4R)-1-(7-fluoro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol;formic acid
CID 155972381
(1S,9S)-11-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 50953502
(3S,4R)-1-(6-chloroquinolin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 155909727
(1R,5S)-3-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid;formic acid
CID 154916124

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol (CID 135110326) is (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol is Cc1nc(N(C)C)nc(N2C[C@@H](Cc3ccncc3)[C@@H](O)C2)c1C.
What is the InChIKey of (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is UIGBKXSVRNSXBX-CVEARBPZSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12-13(2)20-18(22(3)4)21-17(12)23-10-15(16(24)11-23)9-14-5-7-19-8-6-14/h5-8,15-16,24H,9-11H2,1-4H3/t15-,16+/m1/s1.
What are the key properties of (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
(3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 327.43 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 135110326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).