2,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylpyrimidine-5-carboxamide

C17H20N4O2 — CID 164638496

IUPAC2,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)c(C)n1
InChIInChI=1S/C17H20N4O2/c1-12-16(10-19-13(2)20-12)17(22)21(11-15-4-3-9-23-15)14-5-7-18-8-6-14/h5-8,10,15H,3-4,9,11H2,1-2H3/t15-/m1/s1
InChIKeyXTXFJVZYKLHOEX-OAHLLOKOSA-N
MW312.37 g/mol
LogP2.31
Rot. Bonds4

About 2,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylpyrimidine-5-carboxamide

2,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 164638496) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID164638496
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)c(C)n1
InChIInChI=1S/C17H20N4O2/c1-12-16(10-19-13(2)20-12)17(22)21(11-15-4-3-9-23-15)14-5-7-18-8-6-14/h5-8,10,15H,3-4,9,11H2,1-2H3/t15-/m1/s1
InChIKeyXTXFJVZYKLHOEX-OAHLLOKOSA-N
XLogP2.31
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylpyrimidine-5-carboxamide (CID 164638496) is 2,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylpyrimidine-5-carboxamide is Cc1ncc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)c(C)n1.
What is the InChIKey of 2,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is XTXFJVZYKLHOEX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-16(10-19-13(2)20-12)17(22)21(11-15-4-3-9-23-15)14-5-7-18-8-6-14/h5-8,10,15H,3-4,9,11H2,1-2H3/t15-/m1/s1.
What are the key properties of 2,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylpyrimidine-5-carboxamide?
2,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 164638496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).