N-[(1S,5R)-8-butoxy-3-bicyclo[3.2.1]octanyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide

C21H30N4O2 — CID 121318972

IUPACN-[(1S,5R)-8-butoxy-3-bicyclo[3.2.1]octanyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCCCCOC1[C@@H]2CC[C@H]1CC(NC(=O)c1ncn3c(C)cc(C)nc13)C2
InChIInChI=1S/C21H30N4O2/c1-4-5-8-27-19-15-6-7-16(19)11-17(10-15)24-21(26)18-20-23-13(2)9-14(3)25(20)12-22-18/h9,12,15-17,19H,4-8,10-11H2,1-3H3,(H,24,26)/t15-,16+,17?,19?
InChIKeyUIYXKBBZXJECMW-GIOYIUAESA-N
MW370.50 g/mol
LogP3.45
Rot. Bonds6

About N-[(1S,5R)-8-butoxy-3-bicyclo[3.2.1]octanyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide

N-[(1S,5R)-8-butoxy-3-bicyclo[3.2.1]octanyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 121318972) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[(1S,5R)-8-butoxy-3-bicyclo[3.2.1]octanyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R)-8-butoxy-3-bicyclo[3.2.1]octanyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID121318972
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[(1S,5R)-8-butoxy-3-bicyclo[3.2.1]octanyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCCCCOC1[C@@H]2CC[C@H]1CC(NC(=O)c1ncn3c(C)cc(C)nc13)C2
InChIInChI=1S/C21H30N4O2/c1-4-5-8-27-19-15-6-7-16(19)11-17(10-15)24-21(26)18-20-23-13(2)9-14(3)25(20)12-22-18/h9,12,15-17,19H,4-8,10-11H2,1-3H3,(H,24,26)/t15-,16+,17?,19?
InChIKeyUIYXKBBZXJECMW-GIOYIUAESA-N
XLogP3.45
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 155147800
N-[(1S,3S,4S)-4-butoxy-3-ethylcyclohexyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 145078548
N-cyclopentyl-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 145078540
4-methyl-2-(oxan-4-yl)-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 158227377
2,4-dimethyl-N-[(1R,3S)-3-pentoxycyclopentyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330063
N-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987619
methane;N,2,4-trimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 157067359
2,4-dimethyl-N-[2-(4-methylcyclohexyl)propan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 159819945
2,4-dimethyl-N-[(1S,4R)-4-pentoxycycloheptyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146409098
2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 121318927
N-(4-butoxycyclohexyl)-4-(methoxymethyl)-2-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330357
2,4-dimethyl-N-(2-oxo-1,3-dihydroindol-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 121328769

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-8-butoxy-3-bicyclo[3.2.1]octanyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of N-[(1S,5R)-8-butoxy-3-bicyclo[3.2.1]octanyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 121318972) is N-[(1S,5R)-8-butoxy-3-bicyclo[3.2.1]octanyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-[(1S,5R)-8-butoxy-3-bicyclo[3.2.1]octanyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-[(1S,5R)-8-butoxy-3-bicyclo[3.2.1]octanyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide is CCCCOC1[C@@H]2CC[C@H]1CC(NC(=O)c1ncn3c(C)cc(C)nc13)C2.
What is the InChIKey of N-[(1S,5R)-8-butoxy-3-bicyclo[3.2.1]octanyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is UIYXKBBZXJECMW-GIOYIUAESA-N. The full InChI is InChI=1S/C21H30N4O2/c1-4-5-8-27-19-15-6-7-16(19)11-17(10-15)24-21(26)18-20-23-13(2)9-14(3)25(20)12-22-18/h9,12,15-17,19H,4-8,10-11H2,1-3H3,(H,24,26)/t15-,16+,17?,19?.
What are the key properties of N-[(1S,5R)-8-butoxy-3-bicyclo[3.2.1]octanyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide?
N-[(1S,5R)-8-butoxy-3-bicyclo[3.2.1]octanyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-8-butoxy-3-bicyclo[3.2.1]octanyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121318972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).