6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C14H22N6 — CID 63220753

IUPAC6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(CN(C)CC2CC2)nc2c1cnn2C
InChIInChI=1S/C14H22N6/c1-4-15-13-11-7-16-20(3)14(11)18-12(17-13)9-19(2)8-10-5-6-10/h7,10H,4-6,8-9H2,1-3H3,(H,15,17,18)
InChIKeyXACHLAMHWNSGHQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.64
Rot. Bonds6

About 6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63220753) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63220753
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(CN(C)CC2CC2)nc2c1cnn2C
InChIInChI=1S/C14H22N6/c1-4-15-13-11-7-16-20(3)14(11)18-12(17-13)9-19(2)8-10-5-6-10/h7,10H,4-6,8-9H2,1-3H3,(H,15,17,18)
InChIKeyXACHLAMHWNSGHQ-UHFFFAOYSA-N
XLogP1.64
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 63220753) is 6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCNc1nc(CN(C)CC2CC2)nc2c1cnn2C.
What is the InChIKey of 6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XACHLAMHWNSGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-4-15-13-11-7-16-20(3)14(11)18-12(17-13)9-19(2)8-10-5-6-10/h7,10H,4-6,8-9H2,1-3H3,(H,15,17,18).
What are the key properties of 6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 274.37 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63220753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).