(2R)-N-(6-methoxypyrimidin-4-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

C15H23N5O2 — CID 164630411

IUPAC(2R)-N-(6-methoxypyrimidin-4-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC[C@@H]2CN2CCCC2)ncn1
InChIInChI=1S/C15H23N5O2/c1-22-14-9-13(16-11-17-14)18-15(21)20-8-4-5-12(20)10-19-6-2-3-7-19/h9,11-12H,2-8,10H2,1H3,(H,16,17,18,21)/t12-/m1/s1
InChIKeyFDNKTWBVNXOXLD-GFCCVEGCSA-N
MW305.38 g/mol
LogP1.58
Rot. Bonds4

About (2R)-N-(6-methoxypyrimidin-4-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

(2R)-N-(6-methoxypyrimidin-4-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 164630411) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2R)-N-(6-methoxypyrimidin-4-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(6-methoxypyrimidin-4-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID164630411
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(2R)-N-(6-methoxypyrimidin-4-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC[C@@H]2CN2CCCC2)ncn1
InChIInChI=1S/C15H23N5O2/c1-22-14-9-13(16-11-17-14)18-15(21)20-8-4-5-12(20)10-19-6-2-3-7-19/h9,11-12H,2-8,10H2,1H3,(H,16,17,18,21)/t12-/m1/s1
InChIKeyFDNKTWBVNXOXLD-GFCCVEGCSA-N
XLogP1.58
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-methoxypyrimidin-4-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(6-methoxypyrimidin-4-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide (CID 164630411) is (2R)-N-(6-methoxypyrimidin-4-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(6-methoxypyrimidin-4-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(6-methoxypyrimidin-4-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide is COc1cc(NC(=O)N2CCC[C@@H]2CN2CCCC2)ncn1.
What is the InChIKey of (2R)-N-(6-methoxypyrimidin-4-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is FDNKTWBVNXOXLD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-22-14-9-13(16-11-17-14)18-15(21)20-8-4-5-12(20)10-19-6-2-3-7-19/h9,11-12H,2-8,10H2,1H3,(H,16,17,18,21)/t12-/m1/s1.
What are the key properties of (2R)-N-(6-methoxypyrimidin-4-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
(2R)-N-(6-methoxypyrimidin-4-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-methoxypyrimidin-4-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 164630411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).