5-(6-methoxy-1H-indole-2-carboximidoyl)-4-N-propan-2-ylpyrimidine-4,6-diamine

C17H20N6O — CID 136593338

IUPAC5-(6-methoxy-1H-indole-2-carboximidoyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILES[H]/N=C(\c1cc2ccc(OC)cc2[nH]1)c1c(N)ncnc1NC(C)C
InChIInChI=1S/C17H20N6O/c1-9(2)22-17-14(16(19)20-8-21-17)15(18)13-6-10-4-5-11(24-3)7-12(10)23-13/h4-9,18,23H,1-3H3,(H3,19,20,21,22)/b18-15+
InChIKeyUXZASHLGILHYHY-OBGWFSINSA-N
MW324.39 g/mol
LogP2.79
Rot. Bonds5

About 5-(6-methoxy-1H-indole-2-carboximidoyl)-4-N-propan-2-ylpyrimidine-4,6-diamine

5-(6-methoxy-1H-indole-2-carboximidoyl)-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 136593338) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 5-(6-methoxy-1H-indole-2-carboximidoyl)-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-(6-methoxy-1H-indole-2-carboximidoyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID136593338
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name5-(6-methoxy-1H-indole-2-carboximidoyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILES[H]/N=C(\c1cc2ccc(OC)cc2[nH]1)c1c(N)ncnc1NC(C)C
InChIInChI=1S/C17H20N6O/c1-9(2)22-17-14(16(19)20-8-21-17)15(18)13-6-10-4-5-11(24-3)7-12(10)23-13/h4-9,18,23H,1-3H3,(H3,19,20,21,22)/b18-15+
InChIKeyUXZASHLGILHYHY-OBGWFSINSA-N
XLogP2.79
TPSA112.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-amino-6-(propan-2-ylamino)pyrimidine-5-carboximidoyl]-1H-indol-6-ol
CID 155199618
2-[4-amino-6-(propan-2-ylamino)pyrimidine-5-carboximidoyl]-4-chloro-1H-indol-5-ol
CID 138706188
1-[4-[[6-amino-5-(6-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 143924916
5-[4-(4-methoxyphenoxy)benzenecarboximidoyl]-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 145184698
(3-chlorophenyl) 4-amino-6-(propan-2-ylamino)pyrimidine-5-carboximidate
CID 130433589
methyl N-[6-[4-amino-6-(propan-2-ylamino)pyrimidine-5-carboximidoyl]-2,3-dihydro-1,2-benzoxazol-3-yl]carbamate
CID 129019222
5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 145130112
N-carbamimidoyl-6-methoxy-N-methyl-1H-indole-2-carboxamide
CID 54458270
5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 145184725
4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine
CID 145388019
5-[4-amino-6-(propan-2-ylamino)pyrimidine-5-carboximidoyl]-3H-1,2-benzoxazole-2-carbaldehyde
CID 121381447
N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 110833539

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-1H-indole-2-carboximidoyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-(6-methoxy-1H-indole-2-carboximidoyl)-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 136593338) is 5-(6-methoxy-1H-indole-2-carboximidoyl)-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-(6-methoxy-1H-indole-2-carboximidoyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-(6-methoxy-1H-indole-2-carboximidoyl)-4-N-propan-2-ylpyrimidine-4,6-diamine is [H]/N=C(\c1cc2ccc(OC)cc2[nH]1)c1c(N)ncnc1NC(C)C.
What is the InChIKey of 5-(6-methoxy-1H-indole-2-carboximidoyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is UXZASHLGILHYHY-OBGWFSINSA-N. The full InChI is InChI=1S/C17H20N6O/c1-9(2)22-17-14(16(19)20-8-21-17)15(18)13-6-10-4-5-11(24-3)7-12(10)23-13/h4-9,18,23H,1-3H3,(H3,19,20,21,22)/b18-15+.
What are the key properties of 5-(6-methoxy-1H-indole-2-carboximidoyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
5-(6-methoxy-1H-indole-2-carboximidoyl)-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 324.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-1H-indole-2-carboximidoyl)-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 136593338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).