6-N-ethyl-4-N-(2-methyl-1H-indol-3-yl)pyrimidine-4,6-diamine

C15H17N5 — CID 115265629

IUPAC6-N-ethyl-4-N-(2-methyl-1H-indol-3-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2c(C)[nH]c3ccccc23)ncn1
InChIInChI=1S/C15H17N5/c1-3-16-13-8-14(18-9-17-13)20-15-10(2)19-12-7-5-4-6-11(12)15/h4-9,19H,3H2,1-2H3,(H2,16,17,18,20)
InChIKeyDGSDSHBIRNFOIX-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.44
Rot. Bonds4

About 6-N-ethyl-4-N-(2-methyl-1H-indol-3-yl)pyrimidine-4,6-diamine

6-N-ethyl-4-N-(2-methyl-1H-indol-3-yl)pyrimidine-4,6-diamine (PubChem CID 115265629) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(2-methyl-1H-indol-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(2-methyl-1H-indol-3-yl)pyrimidine-4,6-diamine
PubChem CID115265629
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name6-N-ethyl-4-N-(2-methyl-1H-indol-3-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2c(C)[nH]c3ccccc23)ncn1
InChIInChI=1S/C15H17N5/c1-3-16-13-8-14(18-9-17-13)20-15-10(2)19-12-7-5-4-6-11(12)15/h4-9,19H,3H2,1-2H3,(H2,16,17,18,20)
InChIKeyDGSDSHBIRNFOIX-UHFFFAOYSA-N
XLogP3.44
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80847426
N-(2-chloroethyl)-2-methyl-1H-indol-3-amine
CID 115214600
1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine
CID 115199020
4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 115265694
4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80755281
6-N-benzyl-4-N-(2,6-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858793
4-N-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80768500
2-fluoro-4-N-(2-methyl-1H-indol-3-yl)benzene-1,4-diamine
CID 115123757
6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044
6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80815379
3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine
CID 115200369
4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 80784844

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(2-methyl-1H-indol-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(2-methyl-1H-indol-3-yl)pyrimidine-4,6-diamine (CID 115265629) is 6-N-ethyl-4-N-(2-methyl-1H-indol-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(2-methyl-1H-indol-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(2-methyl-1H-indol-3-yl)pyrimidine-4,6-diamine is CCNc1cc(Nc2c(C)[nH]c3ccccc23)ncn1.
What is the InChIKey of 6-N-ethyl-4-N-(2-methyl-1H-indol-3-yl)pyrimidine-4,6-diamine?
The InChIKey is DGSDSHBIRNFOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-16-13-8-14(18-9-17-13)20-15-10(2)19-12-7-5-4-6-11(12)15/h4-9,19H,3H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 6-N-ethyl-4-N-(2-methyl-1H-indol-3-yl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-(2-methyl-1H-indol-3-yl)pyrimidine-4,6-diamine has a molecular weight of 267.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(2-methyl-1H-indol-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115265629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).