N,6-dimethyl-1-pyrimidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C11H11N7 — CID 80726505

IUPACN,6-dimethyl-1-pyrimidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C)nc2c1cnn2-c1ccncn1
InChIInChI=1S/C11H11N7/c1-7-16-10(12-2)8-5-15-18(11(8)17-7)9-3-4-13-6-14-9/h3-6H,1-2H3,(H,12,16,17)
InChIKeyLBNONBPMGGOOBH-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.96
Rot. Bonds2

About N,6-dimethyl-1-pyrimidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

N,6-dimethyl-1-pyrimidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 80726505) has the molecular formula C11H11N7 and a molecular weight of 241.26 g/mol. Its IUPAC name is N,6-dimethyl-1-pyrimidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-1-pyrimidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID80726505
Molecular FormulaC11H11N7
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC NameN,6-dimethyl-1-pyrimidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C)nc2c1cnn2-c1ccncn1
InChIInChI=1S/C11H11N7/c1-7-16-10(12-2)8-5-15-18(11(8)17-7)9-3-4-13-6-14-9/h3-6H,1-2H3,(H,12,16,17)
InChIKeyLBNONBPMGGOOBH-UHFFFAOYSA-N
XLogP0.96
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 94753
CID 94753
CID 219754
CID 219754
CID 221086
CID 221086
CID 2808976
CID 2808976
CID 2807616
CID 2807616
CID 24864305
CID 24864305
CID 220780
CID 220780
CID 56835766
CID 56835766
CID 219753
CID 219753
CID 221090
CID 221090
CID 221093
CID 221093
CID 240823
CID 240823

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-1-pyrimidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-1-pyrimidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 80726505) is N,6-dimethyl-1-pyrimidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-1-pyrimidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-1-pyrimidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is CNc1nc(C)nc2c1cnn2-c1ccncn1.
What is the InChIKey of N,6-dimethyl-1-pyrimidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LBNONBPMGGOOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7/c1-7-16-10(12-2)8-5-15-18(11(8)17-7)9-3-4-13-6-14-9/h3-6H,1-2H3,(H,12,16,17).
What are the key properties of N,6-dimethyl-1-pyrimidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N,6-dimethyl-1-pyrimidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 241.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-1-pyrimidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 80726505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).