3-[ethyl-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]amino]propanenitrile

C14H21N7 — CID 63221163

IUPAC3-[ethyl-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]amino]propanenitrile
SMILESCCNc1nc(CN(CC)CCC#N)nc2c1cnn2C
InChIInChI=1S/C14H21N7/c1-4-16-13-11-9-17-20(3)14(11)19-12(18-13)10-21(5-2)8-6-7-15/h9H,4-6,8,10H2,1-3H3,(H,16,18,19)
InChIKeyXJZPSMNHMCDSLB-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.53
Rot. Bonds7

About 3-[ethyl-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]amino]propanenitrile

3-[ethyl-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]amino]propanenitrile (PubChem CID 63221163) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-[ethyl-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]amino]propanenitrile
PubChem CID63221163
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name3-[ethyl-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]amino]propanenitrile
SMILESCCNc1nc(CN(CC)CCC#N)nc2c1cnn2C
InChIInChI=1S/C14H21N7/c1-4-16-13-11-9-17-20(3)14(11)19-12(18-13)10-21(5-2)8-6-7-15/h9H,4-6,8,10H2,1-3H3,(H,16,18,19)
InChIKeyXJZPSMNHMCDSLB-UHFFFAOYSA-N
XLogP1.53
TPSA82.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 63220157
6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220569
3-[ethyl-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]-2-methylpropanenitrile
CID 63221848
2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol
CID 104554373
6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220753
N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221252
6-[[1-cyclopropylethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220443
N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221381
N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220953
N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220563
N-ethyl-1-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220147
N-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221979

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]amino]propanenitrile?
The IUPAC name of 3-[ethyl-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]amino]propanenitrile (CID 63221163) is 3-[ethyl-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]amino]propanenitrile.
What is the SMILES notation for 3-[ethyl-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]amino]propanenitrile?
The canonical SMILES for 3-[ethyl-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]amino]propanenitrile is CCNc1nc(CN(CC)CCC#N)nc2c1cnn2C.
What is the InChIKey of 3-[ethyl-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]amino]propanenitrile?
The InChIKey is XJZPSMNHMCDSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-4-16-13-11-9-17-20(3)14(11)19-12(18-13)10-21(5-2)8-6-7-15/h9H,4-6,8,10H2,1-3H3,(H,16,18,19).
What are the key properties of 3-[ethyl-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]amino]propanenitrile?
3-[ethyl-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]amino]propanenitrile has a molecular weight of 287.37 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]amino]propanenitrile is sourced from PubChem (CID 63221163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).