5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine

C18H16BrN7 — CID 10409271

IUPAC5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
SMILESBrc1cnc(Nc2ccc3cn[nH]c3c2)nc1NCCc1ccccn1
InChIInChI=1S/C18H16BrN7/c19-15-11-22-18(24-14-5-4-12-10-23-26-16(12)9-14)25-17(15)21-8-6-13-3-1-2-7-20-13/h1-5,7,9-11H,6,8H2,(H,23,26)(H2,21,22,24,25)
InChIKeyCLRALMONYMNWBU-UHFFFAOYSA-N
MW410.28 g/mol
LogP3.91
Rot. Bonds6

About 5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine

5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine (PubChem CID 10409271) has the molecular formula C18H16BrN7 and a molecular weight of 410.28 g/mol. Its IUPAC name is 5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
PubChem CID10409271
Molecular FormulaC18H16BrN7
Molecular Weight410.28 g/mol
Exact Mass409.07
IUPAC Name5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
SMILESBrc1cnc(Nc2ccc3cn[nH]c3c2)nc1NCCc1ccccn1
InChIInChI=1S/C18H16BrN7/c19-15-11-22-18(24-14-5-4-12-10-23-26-16(12)9-14)25-17(15)21-8-6-13-3-1-2-7-20-13/h1-5,7,9-11H,6,8H2,(H,23,26)(H2,21,22,24,25)
InChIKeyCLRALMONYMNWBU-UHFFFAOYSA-N
XLogP3.91
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-N-(1H-indazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indol-4-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;2-N-(1H-indol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 173204712
N-[2-[[5-bromo-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 21081267
5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80765776
5-bromo-2-N-(1H-indol-4-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 10454172
2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 44562903
5-bromo-4-N-(pyridin-2-ylmethyl)-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]pyrimidine-2,4-diamine
CID 10073679
4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
CID 67277592
5-[[5-bromo-4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 10027202
2-[[2-(4-aminoanilino)-5-bromopyrimidin-4-yl]amino]ethanol
CID 143697332
N-(1H-indazol-6-yl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 71033913
S-[2-[[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]thiohydroxylamine
CID 143015941
N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 10364570

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine (CID 10409271) is 5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine is Brc1cnc(Nc2ccc3cn[nH]c3c2)nc1NCCc1ccccn1.
What is the InChIKey of 5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is CLRALMONYMNWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN7/c19-15-11-22-18(24-14-5-4-12-10-23-26-16(12)9-14)25-17(15)21-8-6-13-3-1-2-7-20-13/h1-5,7,9-11H,6,8H2,(H,23,26)(H2,21,22,24,25).
What are the key properties of 5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 410.28 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 10409271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).