5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine

C13H13N7O — CID 153159221

IUPAC5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine
SMILES[H]/N=C/c1c(N)ncnc1Nc1cc2cn[nH]c2cc1OC
InChIInChI=1S/C13H13N7O/c1-21-11-3-9-7(5-18-20-9)2-10(11)19-13-8(4-14)12(15)16-6-17-13/h2-6,14H,1H3,(H,18,20)(H3,15,16,17,19)/b14-4+
InChIKeyWCADPGCVDJRANX-LNKIKWGQSA-N
MW283.30 g/mol
LogP1.68
Rot. Bonds4

About 5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine

5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine (PubChem CID 153159221) has the molecular formula C13H13N7O and a molecular weight of 283.30 g/mol. Its IUPAC name is 5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine
PubChem CID153159221
Molecular FormulaC13H13N7O
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine
SMILES[H]/N=C/c1c(N)ncnc1Nc1cc2cn[nH]c2cc1OC
InChIInChI=1S/C13H13N7O/c1-21-11-3-9-7(5-18-20-9)2-10(11)19-13-8(4-14)12(15)16-6-17-13/h2-6,14H,1H3,(H,18,20)(H3,15,16,17,19)/b14-4+
InChIKeyWCADPGCVDJRANX-LNKIKWGQSA-N
XLogP1.68
TPSA125.59 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine
CID 131967732
4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine
CID 175369244
6-methoxy-N-methyl-1H-indazol-5-amine
CID 153364692
4-N-(6-methoxy-1H-indazol-5-yl)-5-N-phenylpyrimidine-4,5-diamine
CID 165148143
[4-[4-amino-6-[(6-methoxy-1H-indazol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 165148106
6-chloro-5-methylpyrimidin-4-amine;N-(6-chloro-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;bis(N-[6-[(6-methoxy-1H-indazol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide);N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide
CID 167601707
N-[5-fluoro-2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-6-methoxy-1H-indazol-5-amine
CID 166920643
(7S)-N-(6-methoxy-1H-indazol-5-yl)-7-(methoxymethyl)-7-methyl-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 144675944
4-N-(6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-methanimidoyl-5-methoxybenzene-1,4-diamine
CID 144594944
[5-bromo-4-[(6-methoxy-1H-indazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
CID 118270202
[4-[(6-methoxy-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl] N-methyl-N-propan-2-ylcarbamate
CID 121408479
(7R)-4-[(6-methoxy-1H-indazol-5-yl)amino]-N,7-dimethyl-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 144675956

Frequently Asked Questions

What is the IUPAC name of 5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine (CID 153159221) is 5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine is [H]/N=C/c1c(N)ncnc1Nc1cc2cn[nH]c2cc1OC.
What is the InChIKey of 5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine?
The InChIKey is WCADPGCVDJRANX-LNKIKWGQSA-N. The full InChI is InChI=1S/C13H13N7O/c1-21-11-3-9-7(5-18-20-9)2-10(11)19-13-8(4-14)12(15)16-6-17-13/h2-6,14H,1H3,(H,18,20)(H3,15,16,17,19)/b14-4+.
What are the key properties of 5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine?
5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine has a molecular weight of 283.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 153159221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).