2-cyclopropyloxy-N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide

C18H24N4O3 — CID 154785175

IUPAC2-cyclopropyloxy-N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide
SMILESCc1c(C)n(CC2CCCO2)c2ncnc(NC(=O)COC3CC3)c12
InChIInChI=1S/C18H24N4O3/c1-11-12(2)22(8-14-4-3-7-24-14)18-16(11)17(19-10-20-18)21-15(23)9-25-13-5-6-13/h10,13-14H,3-9H2,1-2H3,(H,19,20,21,23)
InChIKeyXVWNQLYASZTUKM-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.34
Rot. Bonds6

About 2-cyclopropyloxy-N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide

2-cyclopropyloxy-N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide (PubChem CID 154785175) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-cyclopropyloxy-N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclopropyloxy-N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide
PubChem CID154785175
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-cyclopropyloxy-N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide
SMILESCc1c(C)n(CC2CCCO2)c2ncnc(NC(=O)COC3CC3)c12
InChIInChI=1S/C18H24N4O3/c1-11-12(2)22(8-14-4-3-7-24-14)18-16(11)17(19-10-20-18)21-15(23)9-25-13-5-6-13/h10,13-14H,3-9H2,1-2H3,(H,19,20,21,23)
InChIKeyXVWNQLYASZTUKM-UHFFFAOYSA-N
XLogP2.34
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 126774787
1-[5,6-dimethyl-7-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]-3-(4-methoxybutyl)urea
CID 100720101
N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide
CID 154736919
N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]propanamide
CID 16957982
[2-[[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]amino]-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 9474720
7-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 84818438
2,5,6-trimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 43337004
N-(2,3-dimethylphenyl)-2-[[5-oxo-4-[[(2S)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41090273
N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]-2-methylbenzamide
CID 40893529
methyl 3-acetamido-5-(cyclohexylamino)-1-[[(2R)-oxolan-2-yl]methyl]pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26135652
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]cyclohexanecarboxamide
CID 7693280

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyloxy-N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide?
The IUPAC name of 2-cyclopropyloxy-N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide (CID 154785175) is 2-cyclopropyloxy-N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-cyclopropyloxy-N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-cyclopropyloxy-N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide is Cc1c(C)n(CC2CCCO2)c2ncnc(NC(=O)COC3CC3)c12.
What is the InChIKey of 2-cyclopropyloxy-N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide?
The InChIKey is XVWNQLYASZTUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-12(2)22(8-14-4-3-7-24-14)18-16(11)17(19-10-20-18)21-15(23)9-25-13-5-6-13/h10,13-14H,3-9H2,1-2H3,(H,19,20,21,23).
What are the key properties of 2-cyclopropyloxy-N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide?
2-cyclopropyloxy-N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide has a molecular weight of 344.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyloxy-N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 154785175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).