4-(1-methylindol-5-yl)pyrimidine-2,5-diamine

C13H13N5 — CID 82388292

IUPAC4-(1-methylindol-5-yl)pyrimidine-2,5-diamine
SMILESCn1ccc2cc(-c3nc(N)ncc3N)ccc21
InChIInChI=1S/C13H13N5/c1-18-5-4-8-6-9(2-3-11(8)18)12-10(14)7-16-13(15)17-12/h2-7H,14H2,1H3,(H2,15,16,17)
InChIKeyRVJYOBALDQTYOX-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.80
Rot. Bonds1

About 4-(1-methylindol-5-yl)pyrimidine-2,5-diamine

4-(1-methylindol-5-yl)pyrimidine-2,5-diamine (PubChem CID 82388292) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(1-methylindol-5-yl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name4-(1-methylindol-5-yl)pyrimidine-2,5-diamine
PubChem CID82388292
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name4-(1-methylindol-5-yl)pyrimidine-2,5-diamine
SMILESCn1ccc2cc(-c3nc(N)ncc3N)ccc21
InChIInChI=1S/C13H13N5/c1-18-5-4-8-6-9(2-3-11(8)18)12-10(14)7-16-13(15)17-12/h2-7H,14H2,1H3,(H2,15,16,17)
InChIKeyRVJYOBALDQTYOX-UHFFFAOYSA-N
XLogP1.80
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-(1-methylindol-5-yl)pyrimidin-2-amine
CID 56857402
1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine
CID 117325598
1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indole
CID 137376309
5-(5-methoxypyrimidin-2-yl)-1-methylindole
CID 137376147
3-tert-butyl-1-(1-methylindol-5-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71207842
1-methyl-5-(1H-pyrazol-4-yl)indole
CID 145005318
4-phenylpyrimidine-2,5-diamine
CID 89253384
5-(4-fluorophenyl)-1-methylindole
CID 172686115
5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
CID 143969091
1-methyl-5-(2-phenoxypyrimidin-5-yl)indole
CID 162507455
N-[(2-aminopyrimidin-5-yl)methyl]-8-(1-methylindol-5-yl)quinoxalin-6-amine;7-chloro-5-(1-methylindol-5-yl)quinoxaline;8-(1-methylindol-5-yl)quinoxalin-6-amine
CID 159414227
7-(1-methylindol-5-yl)-3-phenylpyrido[2,3-b]pyrazine
CID 72544580

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindol-5-yl)pyrimidine-2,5-diamine?
The IUPAC name of 4-(1-methylindol-5-yl)pyrimidine-2,5-diamine (CID 82388292) is 4-(1-methylindol-5-yl)pyrimidine-2,5-diamine.
What is the SMILES notation for 4-(1-methylindol-5-yl)pyrimidine-2,5-diamine?
The canonical SMILES for 4-(1-methylindol-5-yl)pyrimidine-2,5-diamine is Cn1ccc2cc(-c3nc(N)ncc3N)ccc21.
What is the InChIKey of 4-(1-methylindol-5-yl)pyrimidine-2,5-diamine?
The InChIKey is RVJYOBALDQTYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18-5-4-8-6-9(2-3-11(8)18)12-10(14)7-16-13(15)17-12/h2-7H,14H2,1H3,(H2,15,16,17).
What are the key properties of 4-(1-methylindol-5-yl)pyrimidine-2,5-diamine?
4-(1-methylindol-5-yl)pyrimidine-2,5-diamine has a molecular weight of 239.28 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindol-5-yl)pyrimidine-2,5-diamine is sourced from PubChem (CID 82388292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).