2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine

C20H15N7 — CID 86210861

IUPAC2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESc1ccc2ncc(Nc3ccnc(Nc4ccc5[nH]ncc5c4)n3)cc2c1
InChIInChI=1S/C20H15N7/c1-2-4-17-13(3-1)9-16(12-22-17)24-19-7-8-21-20(26-19)25-15-5-6-18-14(10-15)11-23-27-18/h1-12H,(H,23,27)(H2,21,24,25,26)
InChIKeyNNPWCNIZHFIGTG-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.39
Rot. Bonds4

About 2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine

2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine (PubChem CID 86210861) has the molecular formula C20H15N7 and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
PubChem CID86210861
Molecular FormulaC20H15N7
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESc1ccc2ncc(Nc3ccnc(Nc4ccc5[nH]ncc5c4)n3)cc2c1
InChIInChI=1S/C20H15N7/c1-2-4-17-13(3-1)9-16(12-22-17)24-19-7-8-21-20(26-19)25-15-5-6-18-14(10-15)11-23-27-18/h1-12H,(H,23,27)(H2,21,24,25,26)
InChIKeyNNPWCNIZHFIGTG-UHFFFAOYSA-N
XLogP4.39
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-nitrophenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 20826973
2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 20826934
4-N-quinolin-3-yl-2-N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)pyrimidine-2,4-diamine
CID 20826946
2-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 20826921
2-N-(3H-benzimidazol-5-yl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
CID 86210860
S-[2-[[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]thiohydroxylamine
CID 143015941
2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile
CID 107544362
N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 137387403
N-[2-[4-(1-aminoethyl)phenyl]pyrimidin-4-yl]-1H-indazol-5-amine
CID 90095924
N,N-dimethylcyclobutanamine;molecular hydrogen;4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]-2-(trifluoromethyl)phenol
CID 176696423
N-quinolin-3-ylpyrido[2,3-b]pyrazin-3-amine
CID 141174905
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030

Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine (CID 86210861) is 2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine is c1ccc2ncc(Nc3ccnc(Nc4ccc5[nH]ncc5c4)n3)cc2c1.
What is the InChIKey of 2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The InChIKey is NNPWCNIZHFIGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7/c1-2-4-17-13(3-1)9-16(12-22-17)24-19-7-8-21-20(26-19)25-15-5-6-18-14(10-15)11-23-27-18/h1-12H,(H,23,27)(H2,21,24,25,26).
What are the key properties of 2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine has a molecular weight of 353.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 86210861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).