1-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

C17H25N7 — CID 95893742

IUPAC1-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(N[C@H](c2nccn2C)C(C)C)c2cnn(C)c2n1
InChIInChI=1S/C17H25N7/c1-6-7-13-20-15(12-10-19-24(5)16(12)21-13)22-14(11(2)3)17-18-8-9-23(17)4/h8-11,14H,6-7H2,1-5H3,(H,20,21,22)/t14-/m0/s1
InChIKeySNJAVTATDWEFRN-AWEZNQCLSA-N
MW327.44 g/mol
LogP2.86
Rot. Bonds6

About 1-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95893742) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95893742
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name1-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(N[C@H](c2nccn2C)C(C)C)c2cnn(C)c2n1
InChIInChI=1S/C17H25N7/c1-6-7-13-20-15(12-10-19-24(5)16(12)21-13)22-14(11(2)3)17-18-8-9-23(17)4/h8-11,14H,6-7H2,1-5H3,(H,20,21,22)/t14-/m0/s1
InChIKeySNJAVTATDWEFRN-AWEZNQCLSA-N
XLogP2.86
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 95893742) is 1-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCc1nc(N[C@H](c2nccn2C)C(C)C)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SNJAVTATDWEFRN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N7/c1-6-7-13-20-15(12-10-19-24(5)16(12)21-13)22-14(11(2)3)17-18-8-9-23(17)4/h8-11,14H,6-7H2,1-5H3,(H,20,21,22)/t14-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 327.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95893742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).