(2R)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide

C16H27N5O2 — CID 124845559

IUPAC(2R)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCC[C@@H]2C(C)(C)O)nc(N(C)C)n1
InChIInChI=1S/C16H27N5O2/c1-11-9-12(19-14(18-11)20(4)5)10-17-15(22)21-8-6-7-13(21)16(2,3)23/h9,13,23H,6-8,10H2,1-5H3,(H,17,22)/t13-/m1/s1
InChIKeyHPMNTWWFCGFRCQ-CYBMUJFWSA-N
MW321.43 g/mol
LogP1.30
Rot. Bonds4

About (2R)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide

(2R)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 124845559) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is (2R)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
PubChem CID124845559
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name(2R)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCC[C@@H]2C(C)(C)O)nc(N(C)C)n1
InChIInChI=1S/C16H27N5O2/c1-11-9-12(19-14(18-11)20(4)5)10-17-15(22)21-8-6-7-13(21)16(2,3)23/h9,13,23H,6-8,10H2,1-5H3,(H,17,22)/t13-/m1/s1
InChIKeyHPMNTWWFCGFRCQ-CYBMUJFWSA-N
XLogP1.30
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide with MolForge

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Related Compounds

4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 126777534
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111619164
2-(1-adamantyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]acetamide
CID 122354034
(2R)-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97306073
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 91967581
1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122354189
2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 122354191
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide
CID 72718411
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 91967591
(2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97306061
1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122353945
2-(2-hydroxypropan-2-yl)-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrrolidine-1-carboxamide
CID 75520836

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide (CID 124845559) is (2R)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide is Cc1cc(CNC(=O)N2CCC[C@@H]2C(C)(C)O)nc(N(C)C)n1.
What is the InChIKey of (2R)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is HPMNTWWFCGFRCQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-11-9-12(19-14(18-11)20(4)5)10-17-15(22)21-8-6-7-13(21)16(2,3)23/h9,13,23H,6-8,10H2,1-5H3,(H,17,22)/t13-/m1/s1.
What are the key properties of (2R)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
(2R)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124845559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).