N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine

C13H22N6 — CID 110431927

IUPACN-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ncnc2c1c(C)nn2C
InChIInChI=1S/C13H22N6/c1-5-19(6-2)8-7-14-12-11-10(3)17-18(4)13(11)16-9-15-12/h9H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyGVPYYLYWBKEDPF-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.43
Rot. Bonds6

About N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine

N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 110431927) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID110431927
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC NameN-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ncnc2c1c(C)nn2C
InChIInChI=1S/C13H22N6/c1-5-19(6-2)8-7-14-12-11-10(3)17-18(4)13(11)16-9-15-12/h9H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyGVPYYLYWBKEDPF-UHFFFAOYSA-N
XLogP1.43
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine
CID 70751320
1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110431932
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431937
1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110431951
1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56899250
N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 63734759
1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431880
N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431893
4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one
CID 19358863
[1-[[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
CID 70738666
2-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-4-methylphenol
CID 110434921
4-N-[2-(diethylamino)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80770786

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine (CID 110431927) is N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1ncnc2c1c(C)nn2C.
What is the InChIKey of N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is GVPYYLYWBKEDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-5-19(6-2)8-7-14-12-11-10(3)17-18(4)13(11)16-9-15-12/h9H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine?
N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 262.36 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 110431927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).