2,4-dimethyl-N-[(1R,3S)-3-pentoxycyclopentyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

C20H29N3O2 — CID 121330063

IUPAC2,4-dimethyl-N-[(1R,3S)-3-pentoxycyclopentyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCCCCCO[C@H]1CC[C@@H](NC(=O)c2ccn3c(C)cc(C)nc23)C1
InChIInChI=1S/C20H29N3O2/c1-4-5-6-11-25-17-8-7-16(13-17)22-20(24)18-9-10-23-15(3)12-14(2)21-19(18)23/h9-10,12,16-17H,4-8,11,13H2,1-3H3,(H,22,24)/t16-,17+/m1/s1
InChIKeyNUBXDVFRMIWTIE-SJORKVTESA-N
MW343.47 g/mol
LogP3.81
Rot. Bonds7

About 2,4-dimethyl-N-[(1R,3S)-3-pentoxycyclopentyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-[(1R,3S)-3-pentoxycyclopentyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121330063) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1R,3S)-3-pentoxycyclopentyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1R,3S)-3-pentoxycyclopentyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121330063
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2,4-dimethyl-N-[(1R,3S)-3-pentoxycyclopentyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCCCCCO[C@H]1CC[C@@H](NC(=O)c2ccn3c(C)cc(C)nc23)C1
InChIInChI=1S/C20H29N3O2/c1-4-5-6-11-25-17-8-7-16(13-17)22-20(24)18-9-10-23-15(3)12-14(2)21-19(18)23/h9-10,12,16-17H,4-8,11,13H2,1-3H3,(H,22,24)/t16-,17+/m1/s1
InChIKeyNUBXDVFRMIWTIE-SJORKVTESA-N
XLogP3.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-[(1S,4R)-4-pentoxycycloheptyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146409098
N-(4-butoxycyclohexyl)-4-(methoxymethyl)-2-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330357
N-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330202
N-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330288
N-(4-butoxycyclohexyl)-4-(difluoromethyl)-2-(methoxymethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330039
2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330034
N-[(1S,3S,4S)-4-butoxy-3-ethylcyclohexyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 145078548
N-(3-butoxycyclobutyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(oxolan-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide);2,4-dimethyl-N-(4-pyridin-3-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-ethoxy-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-hex-5-ynoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 164958675
2,4-dimethyl-N-(3-oxaspiro[5.5]undecan-9-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330373
N-[(1S,5R)-8-butoxy-3-bicyclo[3.2.1]octanyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 121318972
N-(2-methoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330118
2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330076

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1R,3S)-3-pentoxycyclopentyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(1R,3S)-3-pentoxycyclopentyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121330063) is 2,4-dimethyl-N-[(1R,3S)-3-pentoxycyclopentyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(1R,3S)-3-pentoxycyclopentyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(1R,3S)-3-pentoxycyclopentyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is CCCCCO[C@H]1CC[C@@H](NC(=O)c2ccn3c(C)cc(C)nc23)C1.
What is the InChIKey of 2,4-dimethyl-N-[(1R,3S)-3-pentoxycyclopentyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is NUBXDVFRMIWTIE-SJORKVTESA-N. The full InChI is InChI=1S/C20H29N3O2/c1-4-5-6-11-25-17-8-7-16(13-17)22-20(24)18-9-10-23-15(3)12-14(2)21-19(18)23/h9-10,12,16-17H,4-8,11,13H2,1-3H3,(H,22,24)/t16-,17+/m1/s1.
What are the key properties of 2,4-dimethyl-N-[(1R,3S)-3-pentoxycyclopentyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-[(1R,3S)-3-pentoxycyclopentyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(1R,3S)-3-pentoxycyclopentyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121330063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).