N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H18N4O — CID 110430534

IUPACN-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1nc(-c2ccccc2)nc2[nH]c(C)cc12
InChIInChI=1S/C16H18N4O/c1-11-10-13-15(17-8-9-21-2)19-14(20-16(13)18-11)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyZBQXCNQBQZPXKW-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.99
Rot. Bonds5

About N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430534) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430534
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1nc(-c2ccccc2)nc2[nH]c(C)cc12
InChIInChI=1S/C16H18N4O/c1-11-10-13-15(17-8-9-21-2)19-14(20-16(13)18-11)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyZBQXCNQBQZPXKW-UHFFFAOYSA-N
XLogP2.99
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430658
2-[2-[[2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 110431195
N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430982
2-(3-chlorophenyl)-6-methyl-N-pentyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430988
N-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431076
N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431209
6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine
CID 112559970
N-(2-methoxyethyl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 26455462
2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid
CID 110431099
N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430140
2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 110431153
4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 68569057

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430534) is N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COCCNc1nc(-c2ccccc2)nc2[nH]c(C)cc12.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ZBQXCNQBQZPXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-10-13-15(17-8-9-21-2)19-14(20-16(13)18-11)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 282.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).