[2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-(5-methoxy-1H-indol-2-yl)phenyl]methylideneazanium

C20H20N7O+ — CID 143557604

IUPAC[2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-(5-methoxy-1H-indol-2-yl)phenyl]methylideneazanium
SMILESCOc1ccc2[nH]c(-c3cc(Nc4ccnc(N)n4)cc(C=[NH2+])c3N)cc2c1
InChIInChI=1S/C20H19N7O/c1-28-14-2-3-16-11(7-14)8-17(26-16)15-9-13(6-12(10-21)19(15)22)25-18-4-5-24-20(23)27-18/h2-10,21,26H,22H2,1H3,(H3,23,24,25,27)/p+1
InChIKeyMMYJSEYPYCDIOU-UHFFFAOYSA-O
MW374.43 g/mol
LogP1.72
Rot. Bonds5

About [2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-(5-methoxy-1H-indol-2-yl)phenyl]methylideneazanium

[2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-(5-methoxy-1H-indol-2-yl)phenyl]methylideneazanium (PubChem CID 143557604) has the molecular formula C20H20N7O+ and a molecular weight of 374.43 g/mol. Its IUPAC name is [2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-(5-methoxy-1H-indol-2-yl)phenyl]methylideneazanium.

Molecular Properties

Compound Name[2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-(5-methoxy-1H-indol-2-yl)phenyl]methylideneazanium
PubChem CID143557604
Molecular FormulaC20H20N7O+
Molecular Weight374.43 g/mol
Exact Mass374.17
IUPAC Name[2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-(5-methoxy-1H-indol-2-yl)phenyl]methylideneazanium
SMILESCOc1ccc2[nH]c(-c3cc(Nc4ccnc(N)n4)cc(C=[NH2+])c3N)cc2c1
InChIInChI=1S/C20H19N7O/c1-28-14-2-3-16-11(7-14)8-17(26-16)15-9-13(6-12(10-21)19(15)22)25-18-4-5-24-20(23)27-18/h2-10,21,26H,22H2,1H3,(H3,23,24,25,27)/p+1
InChIKeyMMYJSEYPYCDIOU-UHFFFAOYSA-O
XLogP1.72
TPSA140.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 51.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-[7-(5-amino-1H-indol-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 89329526
4-N-[7-(5-methyl-1H-indol-2-yl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine
CID 158935199
acetic acid;4-N-[7-(6-methoxynaphthalen-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 157327076
2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole
CID 162717905
4-N-[4-amino-3-(4-fluoro-3-methylphenyl)-5-methanimidoylphenyl]pyrimidine-2,4-diamine
CID 143557319
5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole
CID 135496116
2-(2-bromophenyl)-5-methoxy-1H-indole
CID 131887178
(E)-4-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-methanimidoylphenyl]but-3-en-1-ol
CID 143557640
2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde
CID 141043717
4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
CID 5257255
5-[(2-aminopyrimidin-4-yl)amino]isoindole-1,3-dione
CID 80760234
4-N-[4-amino-3-[3-(dimethylamino)prop-1-ynyl]-5-methanimidoylphenyl]pyrimidine-2,4-diamine
CID 143557614

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-(5-methoxy-1H-indol-2-yl)phenyl]methylideneazanium?
The IUPAC name of [2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-(5-methoxy-1H-indol-2-yl)phenyl]methylideneazanium (CID 143557604) is [2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-(5-methoxy-1H-indol-2-yl)phenyl]methylideneazanium.
What is the SMILES notation for [2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-(5-methoxy-1H-indol-2-yl)phenyl]methylideneazanium?
The canonical SMILES for [2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-(5-methoxy-1H-indol-2-yl)phenyl]methylideneazanium is COc1ccc2[nH]c(-c3cc(Nc4ccnc(N)n4)cc(C=[NH2+])c3N)cc2c1.
What is the InChIKey of [2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-(5-methoxy-1H-indol-2-yl)phenyl]methylideneazanium?
The InChIKey is MMYJSEYPYCDIOU-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H19N7O/c1-28-14-2-3-16-11(7-14)8-17(26-16)15-9-13(6-12(10-21)19(15)22)25-18-4-5-24-20(23)27-18/h2-10,21,26H,22H2,1H3,(H3,23,24,25,27)/p+1.
What are the key properties of [2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-(5-methoxy-1H-indol-2-yl)phenyl]methylideneazanium?
[2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-(5-methoxy-1H-indol-2-yl)phenyl]methylideneazanium has a molecular weight of 374.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-(5-methoxy-1H-indol-2-yl)phenyl]methylideneazanium is sourced from PubChem (CID 143557604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).