1-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)-3-morpholin-4-ylpropan-2-ol

C16H25N7O3 — CID 135513613

IUPAC1-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)-3-morpholin-4-ylpropan-2-ol
SMILES[H]/N=c1\ncn(CC(O)CN2CCOCC2)c2nc(N3CCOCC3)[nH]c12
InChIInChI=1S/C16H25N7O3/c17-14-13-15(20-16(19-13)22-3-7-26-8-4-22)23(11-18-14)10-12(24)9-21-1-5-25-6-2-21/h11-12,17,24H,1-10H2,(H,19,20)/b17-14-
InChIKeyPMISRWJZRJQTEP-VKAVYKQESA-N
MW363.42 g/mol
LogP-1.23
Rot. Bonds5

About 1-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)-3-morpholin-4-ylpropan-2-ol

1-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)-3-morpholin-4-ylpropan-2-ol (PubChem CID 135513613) has the molecular formula C16H25N7O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)-3-morpholin-4-ylpropan-2-ol
PubChem CID135513613
Molecular FormulaC16H25N7O3
Molecular Weight363.42 g/mol
Exact Mass363.20
IUPAC Name1-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)-3-morpholin-4-ylpropan-2-ol
SMILES[H]/N=c1\ncn(CC(O)CN2CCOCC2)c2nc(N3CCOCC3)[nH]c12
InChIInChI=1S/C16H25N7O3/c17-14-13-15(20-16(19-13)22-3-7-26-8-4-22)23(11-18-14)10-12(24)9-21-1-5-25-6-2-21/h11-12,17,24H,1-10H2,(H,19,20)/b17-14-
InChIKeyPMISRWJZRJQTEP-VKAVYKQESA-N
XLogP-1.23
TPSA115.52 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)-3-morpholin-4-ylpropan-2-ol (CID 135513613) is 1-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)-3-morpholin-4-ylpropan-2-ol is [H]/N=c1\ncn(CC(O)CN2CCOCC2)c2nc(N3CCOCC3)[nH]c12.
What is the InChIKey of 1-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is PMISRWJZRJQTEP-VKAVYKQESA-N. The full InChI is InChI=1S/C16H25N7O3/c17-14-13-15(20-16(19-13)22-3-7-26-8-4-22)23(11-18-14)10-12(24)9-21-1-5-25-6-2-21/h11-12,17,24H,1-10H2,(H,19,20)/b17-14-.
What are the key properties of 1-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)-3-morpholin-4-ylpropan-2-ol?
1-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 363.42 g/mol, XLogP of -1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imino-8-morpholin-4-yl-7H-purin-3-yl)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 135513613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).