(2R)-3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol

C15H25N7O2 — CID 135750406

IUPAC(2R)-3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol
SMILES[H]/N=c1\ncn(C[C@@H](O)CO)c2nc(N3CCN(CCC)CC3)[nH]c12
InChIInChI=1S/C15H25N7O2/c1-2-3-20-4-6-21(7-5-20)15-18-12-13(16)17-10-22(14(12)19-15)8-11(24)9-23/h10-11,16,23-24H,2-9H2,1H3,(H,18,19)/b16-13-/t11-/m1/s1
InChIKeyFGVJTGHXAAJTLF-KDUNNAQNSA-N
MW335.41 g/mol
LogP-0.88
Rot. Bonds6

About (2R)-3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol

(2R)-3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol (PubChem CID 135750406) has the molecular formula C15H25N7O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2R)-3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol
PubChem CID135750406
Molecular FormulaC15H25N7O2
Molecular Weight335.41 g/mol
Exact Mass335.21
IUPAC Name(2R)-3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol
SMILES[H]/N=c1\ncn(C[C@@H](O)CO)c2nc(N3CCN(CCC)CC3)[nH]c12
InChIInChI=1S/C15H25N7O2/c1-2-3-20-4-6-21(7-5-20)15-18-12-13(16)17-10-22(14(12)19-15)8-11(24)9-23/h10-11,16,23-24H,2-9H2,1H3,(H,18,19)/b16-13-/t11-/m1/s1
InChIKeyFGVJTGHXAAJTLF-KDUNNAQNSA-N
XLogP-0.88
TPSA117.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R)-3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol with MolForge

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Related Compounds

1-(6-Amino-8-morpholin-4-yl-purin-3-yl)-3-morpholin-4-yl-propan-2-ol
CID 135513613
3-(6-amino-8-(4-propylpiperazin-1-yl)-3H-purin-3-yl)propane-1,2-diol
CID 135427580
3-(6-Amino-8-morpholin-4-yl-purin-3-yl)-propane-1,2-diol
CID 135406313
(RS)-7-(2,3-Dihydroxypropyl)adenine
CID 15957685
3-[6-Amino-3-(3-hydroxypropyl)-2,7-dihydropurin-2-yl]propan-1-ol
CID 44316037
3-[(2S)-6-amino-3-(3-hydroxypropyl)-2,7-dihydropurin-2-yl]propan-1-ol
CID 76313406
3-(1-Hydroxy-6-iminopurin-9-yl)propane-1,2-diol
CID 90674753
3-(6-Amino-2,3-dihydropurin-9-yl)propane-1,2-diol
CID 136114643
3-(6-Amino-purin-3-yl)-propane-1,2-diol
CID 135463741
3-(6-amino-8-bromo-3H-purin-3-yl)-1,2-propanediol
CID 135406843
3-{6-amino-8-[(2-hydroxyethyl)amino]-3H-purin-3-yl}propane-1,2-diol
CID 135439112
Tenofovir Impurity 77
CID 139229840

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol?
The IUPAC name of (2R)-3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol (CID 135750406) is (2R)-3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol?
The canonical SMILES for (2R)-3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol is [H]/N=c1\ncn(C[C@@H](O)CO)c2nc(N3CCN(CCC)CC3)[nH]c12.
What is the InChIKey of (2R)-3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol?
The InChIKey is FGVJTGHXAAJTLF-KDUNNAQNSA-N. The full InChI is InChI=1S/C15H25N7O2/c1-2-3-20-4-6-21(7-5-20)15-18-12-13(16)17-10-22(14(12)19-15)8-11(24)9-23/h10-11,16,23-24H,2-9H2,1H3,(H,18,19)/b16-13-/t11-/m1/s1.
What are the key properties of (2R)-3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol?
(2R)-3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol has a molecular weight of 335.41 g/mol, XLogP of -0.88, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol is sourced from PubChem (CID 135750406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).