5-(1H-indole-5-carboximidoyl)pyrimidine-4,6-diamine

C13H12N6 — CID 145071644

IUPAC5-(1H-indole-5-carboximidoyl)pyrimidine-4,6-diamine
SMILES[H]/N=C(\c1ccc2[nH]ccc2c1)c1c(N)ncnc1N
InChIInChI=1S/C13H12N6/c14-11(10-12(15)18-6-19-13(10)16)8-1-2-9-7(5-8)3-4-17-9/h1-6,14,17H,(H4,15,16,18,19)/b14-11+
InChIKeyWCEDDNPKMUMXMW-SDNWHVSQSA-N
MW252.28 g/mol
LogP1.54
Rot. Bonds2

About 5-(1H-indole-5-carboximidoyl)pyrimidine-4,6-diamine

5-(1H-indole-5-carboximidoyl)pyrimidine-4,6-diamine (PubChem CID 145071644) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-(1H-indole-5-carboximidoyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-(1H-indole-5-carboximidoyl)pyrimidine-4,6-diamine
PubChem CID145071644
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name5-(1H-indole-5-carboximidoyl)pyrimidine-4,6-diamine
SMILES[H]/N=C(\c1ccc2[nH]ccc2c1)c1c(N)ncnc1N
InChIInChI=1S/C13H12N6/c14-11(10-12(15)18-6-19-13(10)16)8-1-2-9-7(5-8)3-4-17-9/h1-6,14,17H,(H4,15,16,18,19)/b14-11+
InChIKeyWCEDDNPKMUMXMW-SDNWHVSQSA-N
XLogP1.54
TPSA117.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 145184743
5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 145184725
5-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2-fluorophenol
CID 122448670
5-(2-amino-1,3-benzoxazole-5-carboximidoyl)-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 90763598
4-N-cyclopentyl-5-(2-methyl-1,3-benzothiazole-6-carboximidoyl)pyrimidine-4,6-diamine
CID 91258608
1-[[6-amino-5-(6-cyclopropyloxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 145130100
5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 145130112
1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 145130159
[6-amino-5-(2-cyclopropyloxyquinoline-6-carboximidoyl)pyrimidin-4-yl]-[(3-methyloxetan-3-yl)methyl]azanium
CID 145130115
3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol
CID 148645761
4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine
CID 145388019
5-(4-phenoxybenzenecarboximidoyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 145124668

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indole-5-carboximidoyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-(1H-indole-5-carboximidoyl)pyrimidine-4,6-diamine (CID 145071644) is 5-(1H-indole-5-carboximidoyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-(1H-indole-5-carboximidoyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-(1H-indole-5-carboximidoyl)pyrimidine-4,6-diamine is [H]/N=C(\c1ccc2[nH]ccc2c1)c1c(N)ncnc1N.
What is the InChIKey of 5-(1H-indole-5-carboximidoyl)pyrimidine-4,6-diamine?
The InChIKey is WCEDDNPKMUMXMW-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H12N6/c14-11(10-12(15)18-6-19-13(10)16)8-1-2-9-7(5-8)3-4-17-9/h1-6,14,17H,(H4,15,16,18,19)/b14-11+.
What are the key properties of 5-(1H-indole-5-carboximidoyl)pyrimidine-4,6-diamine?
5-(1H-indole-5-carboximidoyl)pyrimidine-4,6-diamine has a molecular weight of 252.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indole-5-carboximidoyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 145071644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).