[2-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl] N-phenylcarbamate

C16H17N5O2 — CID 143605670

IUPAC[2-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl] N-phenylcarbamate
SMILESCN(C)c1nc(OC(=O)Nc2ccccc2)c2ccn(C)c2n1
InChIInChI=1S/C16H17N5O2/c1-20(2)15-18-13-12(9-10-21(13)3)14(19-15)23-16(22)17-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,17,22)
InChIKeyBKEVQZOTSHVZFR-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.65
Rot. Bonds3

About [2-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl] N-phenylcarbamate

[2-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl] N-phenylcarbamate (PubChem CID 143605670) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is [2-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[2-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl] N-phenylcarbamate
PubChem CID143605670
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name[2-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl] N-phenylcarbamate
SMILESCN(C)c1nc(OC(=O)Nc2ccccc2)c2ccn(C)c2n1
InChIInChI=1S/C16H17N5O2/c1-20(2)15-18-13-12(9-10-21(13)3)14(19-15)23-16(22)17-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,17,22)
InChIKeyBKEVQZOTSHVZFR-UHFFFAOYSA-N
XLogP2.65
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(dimethylamino)-9-methylpurin-6-yl] N-phenylcarbamate
CID 143605606
phenyl N-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]carbamate
CID 169186337
(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl) carbamate
CID 143605611
(5-chloro-2-methyltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate
CID 143605583
(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate
CID 70826413
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
[4-(dimethylamino)-3-propan-2-ylphenyl] N-phenylcarbamate;iodomethane
CID 23621709
(3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate
CID 91312207
methyl 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate
CID 169206521
(3,5-dimethoxyphenyl) N-phenylcarbamate
CID 23281948
pyridin-2-yl N-phenylcarbamate
CID 4689975
[anilino(dimethylamino)methylidene]-dimethylazanium
CID 638167

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl] N-phenylcarbamate?
The IUPAC name of [2-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl] N-phenylcarbamate (CID 143605670) is [2-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl] N-phenylcarbamate.
What is the SMILES notation for [2-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl] N-phenylcarbamate?
The canonical SMILES for [2-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl] N-phenylcarbamate is CN(C)c1nc(OC(=O)Nc2ccccc2)c2ccn(C)c2n1.
What is the InChIKey of [2-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl] N-phenylcarbamate?
The InChIKey is BKEVQZOTSHVZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-20(2)15-18-13-12(9-10-21(13)3)14(19-15)23-16(22)17-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,17,22).
What are the key properties of [2-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl] N-phenylcarbamate?
[2-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl] N-phenylcarbamate has a molecular weight of 311.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl] N-phenylcarbamate is sourced from PubChem (CID 143605670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).