N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1,3,6-tetramethylpyrazolo[5,4-d]pyrimidin-4-amine

C16H26N6 — CID 70757369

IUPACN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1,3,6-tetramethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(N(C)CC2(C)CCN(C)C2)c2c(C)nn(C)c2n1
InChIInChI=1S/C16H26N6/c1-11-13-14(17-12(2)18-15(13)22(6)19-11)21(5)10-16(3)7-8-20(4)9-16/h7-10H2,1-6H3
InChIKeyKYSHHDTXUPPSKD-UHFFFAOYSA-N
MW302.43 g/mol
LogP1.76
Rot. Bonds3

About N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1,3,6-tetramethylpyrazolo[5,4-d]pyrimidin-4-amine

N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1,3,6-tetramethylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 70757369) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1,3,6-tetramethylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1,3,6-tetramethylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID70757369
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1,3,6-tetramethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(N(C)CC2(C)CCN(C)C2)c2c(C)nn(C)c2n1
InChIInChI=1S/C16H26N6/c1-11-13-14(17-12(2)18-15(13)22(6)19-11)21(5)10-16(3)7-8-20(4)9-16/h7-10H2,1-6H3
InChIKeyKYSHHDTXUPPSKD-UHFFFAOYSA-N
XLogP1.76
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1,3,6-tetramethylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1,3,6-tetramethylpyrazolo[5,4-d]pyrimidin-4-amine (CID 70757369) is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1,3,6-tetramethylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1,3,6-tetramethylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1,3,6-tetramethylpyrazolo[5,4-d]pyrimidin-4-amine is Cc1nc(N(C)CC2(C)CCN(C)C2)c2c(C)nn(C)c2n1.
What is the InChIKey of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1,3,6-tetramethylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is KYSHHDTXUPPSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-11-13-14(17-12(2)18-15(13)22(6)19-11)21(5)10-16(3)7-8-20(4)9-16/h7-10H2,1-6H3.
What are the key properties of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1,3,6-tetramethylpyrazolo[5,4-d]pyrimidin-4-amine?
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1,3,6-tetramethylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 302.43 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1,3,6-tetramethylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70757369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).