6-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-7H-purine-2,6-diamine

C17H24N8 — CID 129244980

IUPAC6-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-7H-purine-2,6-diamine
SMILESCc1cc(Nc2nc(N[C@@H](C)C3CC3)c3[nH]cnc3n2)nn1C(C)C
InChIInChI=1S/C17H24N8/c1-9(2)25-10(3)7-13(24-25)21-17-22-15-14(18-8-19-15)16(23-17)20-11(4)12-5-6-12/h7-9,11-12H,5-6H2,1-4H3,(H3,18,19,20,21,22,23,24)/t11-/m0/s1
InChIKeyIKILDPWUDWNWQL-NSHDSACASA-N
MW340.44 g/mol
LogP3.39
Rot. Bonds6

About 6-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-7H-purine-2,6-diamine

6-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-7H-purine-2,6-diamine (PubChem CID 129244980) has the molecular formula C17H24N8 and a molecular weight of 340.44 g/mol. Its IUPAC name is 6-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-7H-purine-2,6-diamine
PubChem CID129244980
Molecular FormulaC17H24N8
Molecular Weight340.44 g/mol
Exact Mass340.21
IUPAC Name6-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-7H-purine-2,6-diamine
SMILESCc1cc(Nc2nc(N[C@@H](C)C3CC3)c3[nH]cnc3n2)nn1C(C)C
InChIInChI=1S/C17H24N8/c1-9(2)25-10(3)7-13(24-25)21-17-22-15-14(18-8-19-15)16(23-17)20-11(4)12-5-6-12/h7-9,11-12H,5-6H2,1-4H3,(H3,18,19,20,21,22,23,24)/t11-/m0/s1
InChIKeyIKILDPWUDWNWQL-NSHDSACASA-N
XLogP3.39
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-7H-purine-2,6-diamine (CID 129244980) is 6-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-7H-purine-2,6-diamine is Cc1cc(Nc2nc(N[C@@H](C)C3CC3)c3[nH]cnc3n2)nn1C(C)C.
What is the InChIKey of 6-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-7H-purine-2,6-diamine?
The InChIKey is IKILDPWUDWNWQL-NSHDSACASA-N. The full InChI is InChI=1S/C17H24N8/c1-9(2)25-10(3)7-13(24-25)21-17-22-15-14(18-8-19-15)16(23-17)20-11(4)12-5-6-12/h7-9,11-12H,5-6H2,1-4H3,(H3,18,19,20,21,22,23,24)/t11-/m0/s1.
What are the key properties of 6-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-7H-purine-2,6-diamine?
6-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-7H-purine-2,6-diamine has a molecular weight of 340.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-7H-purine-2,6-diamine is sourced from PubChem (CID 129244980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).