3-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)propane-1,2-diol

C12H18N6O3 — CID 135406313

IUPAC3-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)propane-1,2-diol
SMILES[H]/N=c1\ncn(CC(O)CO)c2nc(N3CCOCC3)[nH]c12
InChIInChI=1S/C12H18N6O3/c13-10-9-11(18(7-14-10)5-8(20)6-19)16-12(15-9)17-1-3-21-4-2-17/h7-8,13,19-20H,1-6H2,(H,15,16)/b13-10-
InChIKeyPNNBYUDCJPHCOO-RAXLEYEMSA-N
MW294.31 g/mol
LogP-1.57
Rot. Bonds4

About 3-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)propane-1,2-diol

3-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)propane-1,2-diol (PubChem CID 135406313) has the molecular formula C12H18N6O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)propane-1,2-diol
PubChem CID135406313
Molecular FormulaC12H18N6O3
Molecular Weight294.31 g/mol
Exact Mass294.14
IUPAC Name3-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)propane-1,2-diol
SMILES[H]/N=c1\ncn(CC(O)CO)c2nc(N3CCOCC3)[nH]c12
InChIInChI=1S/C12H18N6O3/c13-10-9-11(18(7-14-10)5-8(20)6-19)16-12(15-9)17-1-3-21-4-2-17/h7-8,13,19-20H,1-6H2,(H,15,16)/b13-10-
InChIKeyPNNBYUDCJPHCOO-RAXLEYEMSA-N
XLogP-1.57
TPSA123.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)propane-1,2-diol?
The IUPAC name of 3-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)propane-1,2-diol (CID 135406313) is 3-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)propane-1,2-diol.
What is the SMILES notation for 3-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)propane-1,2-diol?
The canonical SMILES for 3-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)propane-1,2-diol is [H]/N=c1\ncn(CC(O)CO)c2nc(N3CCOCC3)[nH]c12.
What is the InChIKey of 3-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)propane-1,2-diol?
The InChIKey is PNNBYUDCJPHCOO-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H18N6O3/c13-10-9-11(18(7-14-10)5-8(20)6-19)16-12(15-9)17-1-3-21-4-2-17/h7-8,13,19-20H,1-6H2,(H,15,16)/b13-10-.
What are the key properties of 3-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)propane-1,2-diol?
3-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)propane-1,2-diol has a molecular weight of 294.31 g/mol, XLogP of -1.57, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)propane-1,2-diol is sourced from PubChem (CID 135406313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).