N-cyclohexyl-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide

C19H27N3O2 — CID 146409016

IUPACN-cyclohexyl-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCOCc1cc(C(C)C)nc2c(C(=O)NC3CCCCC3)ccn12
InChIInChI=1S/C19H27N3O2/c1-13(2)17-11-15(12-24-3)22-10-9-16(18(22)21-17)19(23)20-14-7-5-4-6-8-14/h9-11,13-14H,4-8,12H2,1-3H3,(H,20,23)
InChIKeyUPJDKNXPVWQBPQ-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.67
Rot. Bonds5

About N-cyclohexyl-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide

N-cyclohexyl-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 146409016) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-cyclohexyl-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID146409016
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-cyclohexyl-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCOCc1cc(C(C)C)nc2c(C(=O)NC3CCCCC3)ccn12
InChIInChI=1S/C19H27N3O2/c1-13(2)17-11-15(12-24-3)22-10-9-16(18(22)21-17)19(23)20-14-7-5-4-6-8-14/h9-11,13-14H,4-8,12H2,1-3H3,(H,20,23)
InChIKeyUPJDKNXPVWQBPQ-UHFFFAOYSA-N
XLogP3.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-3-(4-hydroxybutan-2-yl)cyclohexyl]-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146409068
butan-1-ol;N-cyclohexyl-2-(difluoromethyl)-4-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 145078604
N-(4-deuterio-6,7-difluoro-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 135185577
N-(4-butoxycyclohexyl)-4-(methoxymethyl)-2-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330357
N-cyclohexyl-4-methyl-2-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2-methylpropan-1-ol
CID 145397701
N-(4-butoxycyclohexyl)-4-(difluoromethyl)-2-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330039
N-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330202
N-cyclooctyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912047
N-cyclopentyl-2-hydroxy-4-propan-2-ylbenzamide
CID 47268168
N-(2-methoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330118
2,4-dimethyl-N-[(1S,4R)-4-pentoxycycloheptyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146409098
2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330034

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of N-cyclohexyl-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 146409016) is N-cyclohexyl-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide is COCc1cc(C(C)C)nc2c(C(=O)NC3CCCCC3)ccn12.
What is the InChIKey of N-cyclohexyl-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is UPJDKNXPVWQBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13(2)17-11-15(12-24-3)22-10-9-16(18(22)21-17)19(23)20-14-7-5-4-6-8-14/h9-11,13-14H,4-8,12H2,1-3H3,(H,20,23).
What are the key properties of N-cyclohexyl-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
N-cyclohexyl-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 146409016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).