N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide

C17H28N4O — CID 126450057

IUPACN-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)N(C)C[C@H](C)CN2CCCC2)n1
InChIInChI=1S/C17H28N4O/c1-13(2)16-18-8-7-15(19-16)17(22)20(4)11-14(3)12-21-9-5-6-10-21/h7-8,13-14H,5-6,9-12H2,1-4H3/t14-/m0/s1
InChIKeyMMVJOJXPNSUCPD-AWEZNQCLSA-N
MW304.44 g/mol
LogP2.40
Rot. Bonds6

About N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide

N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 126450057) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID126450057
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)N(C)C[C@H](C)CN2CCCC2)n1
InChIInChI=1S/C17H28N4O/c1-13(2)16-18-8-7-15(19-16)17(22)20(4)11-14(3)12-21-9-5-6-10-21/h7-8,13-14H,5-6,9-12H2,1-4H3/t14-/m0/s1
InChIKeyMMVJOJXPNSUCPD-AWEZNQCLSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 126450057) is N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1nccc(C(=O)N(C)C[C@H](C)CN2CCCC2)n1.
What is the InChIKey of N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is MMVJOJXPNSUCPD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13(2)16-18-8-7-15(19-16)17(22)20(4)11-14(3)12-21-9-5-6-10-21/h7-8,13-14H,5-6,9-12H2,1-4H3/t14-/m0/s1.
What are the key properties of N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide?
N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 126450057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).