(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

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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).