4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C13H22N6 — CID 104830500

IUPAC4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCNc1nc(NC(C)C(C)(C)C)c2cn[nH]c2n1
InChIInChI=1S/C13H22N6/c1-6-14-12-17-10(16-8(2)13(3,4)5)9-7-15-19-11(9)18-12/h7-8H,6H2,1-5H3,(H3,14,15,16,17,18,19)
InChIKeyVHDNWDXGWJRRHI-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.63
Rot. Bonds4

About 4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 104830500) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID104830500
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCNc1nc(NC(C)C(C)(C)C)c2cn[nH]c2n1
InChIInChI=1S/C13H22N6/c1-6-14-12-17-10(16-8(2)13(3,4)5)9-7-15-19-11(9)18-12/h7-8H,6H2,1-5H3,(H3,14,15,16,17,18,19)
InChIKeyVHDNWDXGWJRRHI-UHFFFAOYSA-N
XLogP2.63
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine with MolForge

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Related Compounds

3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol
CID 83178553
3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358379
4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329938
6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 106412206
6-N-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 103012320
2-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate
CID 83215771
6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 106296188
4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107765545
N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107784942
4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 114158228
N-ethyl-4-(2-methylthiophen-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 102838373
2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 114632933

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 104830500) is 4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is CCNc1nc(NC(C)C(C)(C)C)c2cn[nH]c2n1.
What is the InChIKey of 4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is VHDNWDXGWJRRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-6-14-12-17-10(16-8(2)13(3,4)5)9-7-15-19-11(9)18-12/h7-8H,6H2,1-5H3,(H3,14,15,16,17,18,19).
What are the key properties of 4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 262.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 104830500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).