(2S,4R)-N,1-dimethyl-4-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]pyrrolidine-2-carboxamide

C18H24N6O2 — CID 74249555

IUPAC(2S,4R)-N,1-dimethyl-4-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](Nc2ncnc(Oc3cccnc3C)c2C)CN1C
InChIInChI=1S/C18H24N6O2/c1-11-16(23-13-8-14(17(25)19-3)24(4)9-13)21-10-22-18(11)26-15-6-5-7-20-12(15)2/h5-7,10,13-14H,8-9H2,1-4H3,(H,19,25)(H,21,22,23)/t13-,14+/m1/s1
InChIKeyFVYPQCIIBPMYBH-KGLIPLIRSA-N
MW356.43 g/mol
LogP1.51
Rot. Bonds5

About (2S,4R)-N,1-dimethyl-4-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]pyrrolidine-2-carboxamide

(2S,4R)-N,1-dimethyl-4-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]pyrrolidine-2-carboxamide (PubChem CID 74249555) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (2S,4R)-N,1-dimethyl-4-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N,1-dimethyl-4-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]pyrrolidine-2-carboxamide
PubChem CID74249555
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name(2S,4R)-N,1-dimethyl-4-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](Nc2ncnc(Oc3cccnc3C)c2C)CN1C
InChIInChI=1S/C18H24N6O2/c1-11-16(23-13-8-14(17(25)19-3)24(4)9-13)21-10-22-18(11)26-15-6-5-7-20-12(15)2/h5-7,10,13-14H,8-9H2,1-4H3,(H,19,25)(H,21,22,23)/t13-,14+/m1/s1
InChIKeyFVYPQCIIBPMYBH-KGLIPLIRSA-N
XLogP1.51
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N,1-dimethyl-4-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N,1-dimethyl-4-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]pyrrolidine-2-carboxamide (CID 74249555) is (2S,4R)-N,1-dimethyl-4-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N,1-dimethyl-4-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N,1-dimethyl-4-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](Nc2ncnc(Oc3cccnc3C)c2C)CN1C.
What is the InChIKey of (2S,4R)-N,1-dimethyl-4-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]pyrrolidine-2-carboxamide?
The InChIKey is FVYPQCIIBPMYBH-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-11-16(23-13-8-14(17(25)19-3)24(4)9-13)21-10-22-18(11)26-15-6-5-7-20-12(15)2/h5-7,10,13-14H,8-9H2,1-4H3,(H,19,25)(H,21,22,23)/t13-,14+/m1/s1.
What are the key properties of (2S,4R)-N,1-dimethyl-4-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]pyrrolidine-2-carboxamide?
(2S,4R)-N,1-dimethyl-4-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]pyrrolidine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N,1-dimethyl-4-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 74249555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).