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

C19H17BrN6 — CID 10454172

IUPAC5-bromo-2-N-(1H-indol-4-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
SMILESBrc1cnc(Nc2cccc3[nH]ccc23)nc1NCCc1ccccn1
InChIInChI=1S/C19H17BrN6/c20-15-12-24-19(25-17-6-3-5-16-14(17)8-11-22-16)26-18(15)23-10-7-13-4-1-2-9-21-13/h1-6,8-9,11-12,22H,7,10H2,(H2,23,24,25,26)
InChIKeyAEEAKXHIXVTTGX-UHFFFAOYSA-N
MW409.29 g/mol
LogP4.51
Rot. Bonds6

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

5-bromo-2-N-(1H-indol-4-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine (PubChem CID 10454172) has the molecular formula C19H17BrN6 and a molecular weight of 409.29 g/mol. Its IUPAC name is 5-bromo-2-N-(1H-indol-4-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(1H-indol-4-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
PubChem CID10454172
Molecular FormulaC19H17BrN6
Molecular Weight409.29 g/mol
Exact Mass408.07
IUPAC Name5-bromo-2-N-(1H-indol-4-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
SMILESBrc1cnc(Nc2cccc3[nH]ccc23)nc1NCCc1ccccn1
InChIInChI=1S/C19H17BrN6/c20-15-12-24-19(25-17-6-3-5-16-14(17)8-11-22-16)26-18(15)23-10-7-13-4-1-2-9-21-13/h1-6,8-9,11-12,22H,7,10H2,(H2,23,24,25,26)
InChIKeyAEEAKXHIXVTTGX-UHFFFAOYSA-N
XLogP4.51
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80765776
5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 10409271
5-bromo-3-N-(1H-indol-4-yl)pyrazine-2,3-diamine
CID 87270720
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
1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine;copper(1+);tetrafluoroborate
CID 139182393
2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline
CID 54952691
2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine
CID 123687026
2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline
CID 61076812
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 106262690
6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 80932444
4,6-dichloro-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 58508167

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(1H-indol-4-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-(1H-indol-4-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine (CID 10454172) is 5-bromo-2-N-(1H-indol-4-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-(1H-indol-4-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-(1H-indol-4-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine is Brc1cnc(Nc2cccc3[nH]ccc23)nc1NCCc1ccccn1.
What is the InChIKey of 5-bromo-2-N-(1H-indol-4-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is AEEAKXHIXVTTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN6/c20-15-12-24-19(25-17-6-3-5-16-14(17)8-11-22-16)26-18(15)23-10-7-13-4-1-2-9-21-13/h1-6,8-9,11-12,22H,7,10H2,(H2,23,24,25,26).
What are the key properties of 5-bromo-2-N-(1H-indol-4-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
5-bromo-2-N-(1H-indol-4-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 409.29 g/mol, XLogP of 4.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(1H-indol-4-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 10454172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).