2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C17H20N6O — CID 141303235

IUPAC2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(N2CCOCC2)ccc1Nc1nc(N)c2cc[nH]c2n1
InChIInChI=1S/C17H20N6O/c1-11-10-12(23-6-8-24-9-7-23)2-3-14(11)20-17-21-15(18)13-4-5-19-16(13)22-17/h2-5,10H,6-9H2,1H3,(H4,18,19,20,21,22)
InChIKeySUNDLJGVPPBKCZ-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.43
Rot. Bonds3

About 2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 141303235) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID141303235
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(N2CCOCC2)ccc1Nc1nc(N)c2cc[nH]c2n1
InChIInChI=1S/C17H20N6O/c1-11-10-12(23-6-8-24-9-7-23)2-3-14(11)20-17-21-15(18)13-4-5-19-16(13)22-17/h2-5,10H,6-9H2,1H3,(H4,18,19,20,21,22)
InChIKeySUNDLJGVPPBKCZ-UHFFFAOYSA-N
XLogP2.43
TPSA92.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-N-cyclohexyl-2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;hydrochloride
CID 91895225
4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 155524460
4-N-cyclohexyl-2-N-(2-methyl-4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 166631950
2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 16955713
N-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 1131976
4-N-cyclobutyl-2-N-(4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 70657969
N-ethyl-4-methyl-5-[2-(2-methyl-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 11538800
4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
CID 166865553
N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-1H-pyrrole-2-carboxamide
CID 167806321
N-ethyl-N-[3-[2-[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethenyl]-2-pyridinyl]methanesulfonamide
CID 66980872
4-methyl-N-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 112912131
N-(2-methoxy-4-morpholin-4-ylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865823

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 141303235) is 2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is Cc1cc(N2CCOCC2)ccc1Nc1nc(N)c2cc[nH]c2n1.
What is the InChIKey of 2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is SUNDLJGVPPBKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11-10-12(23-6-8-24-9-7-23)2-3-14(11)20-17-21-15(18)13-4-5-19-16(13)22-17/h2-5,10H,6-9H2,1H3,(H4,18,19,20,21,22).
What are the key properties of 2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 324.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 141303235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).