4-imino-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine

C12H12N6 — CID 98469428

IUPAC4-imino-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine
SMILES[H]/N=c1\c2cnn(-c3ccc(C)cc3)c2ncn1N
InChIInChI=1S/C12H12N6/c1-8-2-4-9(5-3-8)18-12-10(6-16-18)11(13)17(14)7-15-12/h2-7,13H,14H2,1H3/b13-11+
InChIKeyDARRZCKWJAUGHH-ACCUITESSA-N
MW240.27 g/mol
LogP0.72
Rot. Bonds1

About 4-imino-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine

4-imino-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine (PubChem CID 98469428) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-imino-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine.

Molecular Properties

Compound Name4-imino-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine
PubChem CID98469428
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name4-imino-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine
SMILES[H]/N=c1\c2cnn(-c3ccc(C)cc3)c2ncn1N
InChIInChI=1S/C12H12N6/c1-8-2-4-9(5-3-8)18-12-10(6-16-18)11(13)17(14)7-15-12/h2-7,13H,14H2,1H3/b13-11+
InChIKeyDARRZCKWJAUGHH-ACCUITESSA-N
XLogP0.72
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-imino-1-(2-methoxy-5-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine
CID 98469445
ethyl 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate
CID 7160453
4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 11207298
[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 46299479
ethyl 2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetate
CID 655144
5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 155947667
ethyl (2S)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoate
CID 7160455
N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 18586689
10-(4-methylphenyl)-5-pyridin-4-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 663578
5-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine
CID 88584564
4-(furan-2-yl)-10-(4-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4908452
1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7160449

Frequently Asked Questions

What is the IUPAC name of 4-imino-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine?
The IUPAC name of 4-imino-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine (CID 98469428) is 4-imino-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine.
What is the SMILES notation for 4-imino-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine?
The canonical SMILES for 4-imino-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine is [H]/N=c1\c2cnn(-c3ccc(C)cc3)c2ncn1N.
What is the InChIKey of 4-imino-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine?
The InChIKey is DARRZCKWJAUGHH-ACCUITESSA-N. The full InChI is InChI=1S/C12H12N6/c1-8-2-4-9(5-3-8)18-12-10(6-16-18)11(13)17(14)7-15-12/h2-7,13H,14H2,1H3/b13-11+.
What are the key properties of 4-imino-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine?
4-imino-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine has a molecular weight of 240.27 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine is sourced from PubChem (CID 98469428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).