6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine

C24H24N6 — CID 112931777

IUPAC6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc3cccnc23)nc(Nc2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C24H24N6/c1-17-16-22(28-21-8-4-6-18-7-5-13-25-23(18)21)29-24(26-17)27-19-9-11-20(12-10-19)30-14-2-3-15-30/h4-13,16H,2-3,14-15H2,1H3,(H2,26,27,28,29)
InChIKeyAFYIGAZPJZCZII-UHFFFAOYSA-N
MW396.50 g/mol
LogP5.42
Rot. Bonds5

About 6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine

6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine (PubChem CID 112931777) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
PubChem CID112931777
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc3cccnc23)nc(Nc2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C24H24N6/c1-17-16-22(28-21-8-4-6-18-7-5-13-25-23(18)21)29-24(26-17)27-19-9-11-20(12-10-19)30-14-2-3-15-30/h4-13,16H,2-3,14-15H2,1H3,(H2,26,27,28,29)
InChIKeyAFYIGAZPJZCZII-UHFFFAOYSA-N
XLogP5.42
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.50
LogP ≤ 55.42
H-Bond Donors ≤ 52
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-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112866920
4-N-(2-chlorophenyl)-6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112929622
4-N-(2-chlorophenyl)-6-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112929623
6-methyl-2-N-(3-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112927291
2-[[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 91900822
2-N-(3-chlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112929778
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112928292
4-N-(3-chlorophenyl)-6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112929721
N-(2-hydrazinyl-6-methylpyrimidin-4-yl)quinolin-8-amine
CID 80926650
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931098
2-N-(4-ethylphenyl)-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112928742
6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919208

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine (CID 112931777) is 6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine is Cc1cc(Nc2cccc3cccnc23)nc(Nc2ccc(N3CCCC3)cc2)n1.
What is the InChIKey of 6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The InChIKey is AFYIGAZPJZCZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-17-16-22(28-21-8-4-6-18-7-5-13-25-23(18)21)29-24(26-17)27-19-9-11-20(12-10-19)30-14-2-3-15-30/h4-13,16H,2-3,14-15H2,1H3,(H2,26,27,28,29).
What are the key properties of 6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine has a molecular weight of 396.50 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112931777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).