molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-2-propan-2-ylpyrimidine-5-carboxamide

C17H29N3O — CID 176982669

IUPACmolecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NC2C(C)(C)C(C)C2(C)C)cn1.[H][H]
InChIInChI=1S/C17H27N3O.H2/c1-10(2)13-18-8-12(9-19-13)14(21)20-15-16(4,5)11(3)17(15,6)7;/h8-11,15H,1-7H3,(H,20,21);1H
InChIKeyLYWDWEXGGGIAKD-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.65
Rot. Bonds3

About molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-2-propan-2-ylpyrimidine-5-carboxamide

molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 176982669) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Namemolecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID176982669
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Namemolecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NC2C(C)(C)C(C)C2(C)C)cn1.[H][H]
InChIInChI=1S/C17H27N3O.H2/c1-10(2)13-18-8-12(9-19-13)14(21)20-15-16(4,5)11(3)17(15,6)7;/h8-11,15H,1-7H3,(H,20,21);1H
InChIKeyLYWDWEXGGGIAKD-UHFFFAOYSA-N
XLogP3.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-hydroxy-2-propylbenzonitrile;molecular hydrogen;2-propan-2-yl-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide
CID 171081837
N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 167817937
N-[3-(4-cyano-2,3-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 177123129
N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen
CID 176982690
N-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide
CID 170669647
N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen
CID 176983546
N-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 74239991
N-[(3R,4R)-4-hydroxy-1-(2-propan-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide
CID 110132997
N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-methylpyrimidine-5-carboxamide
CID 170392060
N-[2-(4-cyano-3,5-dimethylphenoxy)-2-azaspiro[3.3]heptan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide;ethane
CID 176984874
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-bromopyridine-3-carboxamide
CID 79711416
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-carboxamide
CID 104786251

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-2-propan-2-ylpyrimidine-5-carboxamide (CID 176982669) is molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-2-propan-2-ylpyrimidine-5-carboxamide is CC(C)c1ncc(C(=O)NC2C(C)(C)C(C)C2(C)C)cn1.[H][H].
What is the InChIKey of molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is LYWDWEXGGGIAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.H2/c1-10(2)13-18-8-12(9-19-13)14(21)20-15-16(4,5)11(3)17(15,6)7;/h8-11,15H,1-7H3,(H,20,21);1H.
What are the key properties of molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-2-propan-2-ylpyrimidine-5-carboxamide?
molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 176982669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).