2-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine

C23H22N6O — CID 20826972

IUPAC2-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESc1ccc2ncc(Nc3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2c1
InChIInChI=1S/C23H22N6O/c1-2-4-21-17(3-1)15-19(16-25-21)26-22-9-10-24-23(28-22)27-18-5-7-20(8-6-18)29-11-13-30-14-12-29/h1-10,15-16H,11-14H2,(H2,24,26,27,28)
InChIKeyXAEYGKWZJMRDKC-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.35
Rot. Bonds5

About 2-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine

2-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine (PubChem CID 20826972) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
PubChem CID20826972
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name2-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESc1ccc2ncc(Nc3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2c1
InChIInChI=1S/C23H22N6O/c1-2-4-21-17(3-1)15-19(16-25-21)26-22-9-10-24-23(28-22)27-18-5-7-20(8-6-18)29-11-13-30-14-12-29/h1-10,15-16H,11-14H2,(H2,24,26,27,28)
InChIKeyXAEYGKWZJMRDKC-UHFFFAOYSA-N
XLogP4.35
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
N-Ethyl-N'-(4-(4-((3S)-3-methylmorpholin-4-yl)-7-(pyrimidin-2-yl)-5,6,7,8-tetrahydropyrido(3,4-d)pyrimidin-2-yl)phenyl)urea
CID 59239114
Sri-9439
CID 446752
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 5g
CID 5328340
4-[(3-Bromophenyl)amino]6-[(3-morpholinopropyl)amino]pyrido[3,4-d]pyrimidine
CID 5328361
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
4-Anilino quinazoline deriv. 18
CID 5328017
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine (CID 20826972) is 2-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine is c1ccc2ncc(Nc3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2c1.
What is the InChIKey of 2-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The InChIKey is XAEYGKWZJMRDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-2-4-21-17(3-1)15-19(16-25-21)26-22-9-10-24-23(28-22)27-18-5-7-20(8-6-18)29-11-13-30-14-12-29/h1-10,15-16H,11-14H2,(H2,24,26,27,28).
What are the key properties of 2-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
2-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine has a molecular weight of 398.47 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 20826972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).