butan-1-ol;N-cyclohexyl-2-(difluoromethyl)-4-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide

C21H31F2N3O3 — CID 145078604

IUPACbutan-1-ol;N-cyclohexyl-2-(difluoromethyl)-4-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCCCCO.COCc1cc(C(F)F)nc2c(C(=O)NC3CCCCC3)ccn12
InChIInChI=1S/C17H21F2N3O2.C4H10O/c1-24-10-12-9-14(15(18)19)21-16-13(7-8-22(12)16)17(23)20-11-5-3-2-4-6-11;1-2-3-4-5/h7-9,11,15H,2-6,10H2,1H3,(H,20,23);5H,2-4H2,1H3
InChIKeyALPXIPHEFRTCLN-UHFFFAOYSA-N
MW411.49 g/mol
LogP4.26
Rot. Bonds7

About butan-1-ol;N-cyclohexyl-2-(difluoromethyl)-4-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide

butan-1-ol;N-cyclohexyl-2-(difluoromethyl)-4-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 145078604) has the molecular formula C21H31F2N3O3 and a molecular weight of 411.49 g/mol. Its IUPAC name is butan-1-ol;N-cyclohexyl-2-(difluoromethyl)-4-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Namebutan-1-ol;N-cyclohexyl-2-(difluoromethyl)-4-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID145078604
Molecular FormulaC21H31F2N3O3
Molecular Weight411.49 g/mol
Exact Mass411.23
IUPAC Namebutan-1-ol;N-cyclohexyl-2-(difluoromethyl)-4-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCCCCO.COCc1cc(C(F)F)nc2c(C(=O)NC3CCCCC3)ccn12
InChIInChI=1S/C17H21F2N3O2.C4H10O/c1-24-10-12-9-14(15(18)19)21-16-13(7-8-22(12)16)17(23)20-11-5-3-2-4-6-11;1-2-3-4-5/h7-9,11,15H,2-6,10H2,1H3,(H,20,23);5H,2-4H2,1H3
InChIKeyALPXIPHEFRTCLN-UHFFFAOYSA-N
XLogP4.26
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze butan-1-ol;N-cyclohexyl-2-(difluoromethyl)-4-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146409016
N-[(1S)-3-(4-hydroxybutan-2-yl)cyclohexyl]-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146409068
N-(4-butoxycyclohexyl)-4-(methoxymethyl)-2-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330357
N-(4-butoxycyclohexyl)-4-(difluoromethyl)-2-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330039
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-cyclohexyl-4-methyl-2-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2-methylpropan-1-ol
CID 145397701
2,4-dimethyl-N-[(1S,4R)-4-pentoxycycloheptyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146409098
2,4-dimethyl-N-[(1R,3S)-3-pentoxycyclopentyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330063
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
2,4-dimethyl-N-(3-oxaspiro[5.5]undecan-9-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330373
N-cyclohexyl-2-(dodecanoylamino)benzamide
CID 25137451

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;N-cyclohexyl-2-(difluoromethyl)-4-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of butan-1-ol;N-cyclohexyl-2-(difluoromethyl)-4-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 145078604) is butan-1-ol;N-cyclohexyl-2-(difluoromethyl)-4-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for butan-1-ol;N-cyclohexyl-2-(difluoromethyl)-4-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for butan-1-ol;N-cyclohexyl-2-(difluoromethyl)-4-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide is CCCCO.COCc1cc(C(F)F)nc2c(C(=O)NC3CCCCC3)ccn12.
What is the InChIKey of butan-1-ol;N-cyclohexyl-2-(difluoromethyl)-4-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is ALPXIPHEFRTCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2.C4H10O/c1-24-10-12-9-14(15(18)19)21-16-13(7-8-22(12)16)17(23)20-11-5-3-2-4-6-11;1-2-3-4-5/h7-9,11,15H,2-6,10H2,1H3,(H,20,23);5H,2-4H2,1H3.
What are the key properties of butan-1-ol;N-cyclohexyl-2-(difluoromethyl)-4-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
butan-1-ol;N-cyclohexyl-2-(difluoromethyl)-4-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;N-cyclohexyl-2-(difluoromethyl)-4-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 145078604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).