4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C15H24N4O — CID 46345501

IUPAC4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCCC2)ncc1C(=O)NCCC(C)C
InChIInChI=1S/C15H24N4O/c1-11(2)6-7-16-14(20)13-10-17-15(18-12(13)3)19-8-4-5-9-19/h10-11H,4-9H2,1-3H3,(H,16,20)
InChIKeyZVRWZIUEJVWMBP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.16
Rot. Bonds5

About 4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 46345501) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID46345501
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCCC2)ncc1C(=O)NCCC(C)C
InChIInChI=1S/C15H24N4O/c1-11(2)6-7-16-14(20)13-10-17-15(18-12(13)3)19-8-4-5-9-19/h10-11H,4-9H2,1-3H3,(H,16,20)
InChIKeyZVRWZIUEJVWMBP-UHFFFAOYSA-N
XLogP2.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide
CID 100752793
4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505324
4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide
CID 46345570
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505270
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253878
N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 125164960
4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 66505240
N-(3-methylbutyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274517
5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195506
N-(4-hydroxyphenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66504155
N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263399

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 46345501) is 4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is Cc1nc(N2CCCC2)ncc1C(=O)NCCC(C)C.
What is the InChIKey of 4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is ZVRWZIUEJVWMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)6-7-16-14(20)13-10-17-15(18-12(13)3)19-8-4-5-9-19/h10-11H,4-9H2,1-3H3,(H,16,20).
What are the key properties of 4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 46345501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).