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

C14H23N3O — CID 100752793

IUPAC4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)NCCC(C)C
InChIInChI=1S/C14H23N3O/c1-9(2)6-7-15-14(18)12-8-16-13(10(3)4)17-11(12)5/h8-10H,6-7H2,1-5H3,(H,15,18)
InChIKeyLRTWUFWOPAVGIN-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.68
Rot. Bonds5

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

4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 100752793) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID100752793
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)NCCC(C)C
InChIInChI=1S/C14H23N3O/c1-9(2)6-7-15-14(18)12-8-16-13(10(3)4)17-11(12)5/h8-10H,6-7H2,1-5H3,(H,15,18)
InChIKeyLRTWUFWOPAVGIN-UHFFFAOYSA-N
XLogP2.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide (CID 100752793) is 4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide is Cc1nc(C(C)C)ncc1C(=O)NCCC(C)C.
What is the InChIKey of 4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is LRTWUFWOPAVGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)6-7-15-14(18)12-8-16-13(10(3)4)17-11(12)5/h8-10H,6-7H2,1-5H3,(H,15,18).
What are the key properties of 4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide?
4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 100752793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).