2-amino-3,7,9-trimethyl-1,2,4,5,6,8-hexahydropurin-6-ol

C8H19N5O — CID 129090595

IUPAC2-amino-3,7,9-trimethyl-1,2,4,5,6,8-hexahydropurin-6-ol
SMILESCN1CN(C)C2C1C(O)NC(N)N2C
InChIInChI=1S/C8H19N5O/c1-11-4-12(2)7-5(11)6(14)10-8(9)13(7)3/h5-8,10,14H,4,9H2,1-3H3
InChIKeyVGSDEVVULZWDPN-UHFFFAOYSA-N
MW201.27 g/mol
LogP-2.39
Rot. Bonds

About 2-amino-3,7,9-trimethyl-1,2,4,5,6,8-hexahydropurin-6-ol

2-amino-3,7,9-trimethyl-1,2,4,5,6,8-hexahydropurin-6-ol (PubChem CID 129090595) has the molecular formula C8H19N5O and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-3,7,9-trimethyl-1,2,4,5,6,8-hexahydropurin-6-ol.

Molecular Properties

Compound Name2-amino-3,7,9-trimethyl-1,2,4,5,6,8-hexahydropurin-6-ol
PubChem CID129090595
Molecular FormulaC8H19N5O
Molecular Weight201.27 g/mol
Exact Mass201.16
IUPAC Name2-amino-3,7,9-trimethyl-1,2,4,5,6,8-hexahydropurin-6-ol
SMILESCN1CN(C)C2C1C(O)NC(N)N2C
InChIInChI=1S/C8H19N5O/c1-11-4-12(2)7-5(11)6(14)10-8(9)13(7)3/h5-8,10,14H,4,9H2,1-3H3
InChIKeyVGSDEVVULZWDPN-UHFFFAOYSA-N
XLogP-2.39
TPSA68.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-2.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,7,9-trimethyl-1,2,4,5,6,8-hexahydropurin-6-ol?
The IUPAC name of 2-amino-3,7,9-trimethyl-1,2,4,5,6,8-hexahydropurin-6-ol (CID 129090595) is 2-amino-3,7,9-trimethyl-1,2,4,5,6,8-hexahydropurin-6-ol.
What is the SMILES notation for 2-amino-3,7,9-trimethyl-1,2,4,5,6,8-hexahydropurin-6-ol?
The canonical SMILES for 2-amino-3,7,9-trimethyl-1,2,4,5,6,8-hexahydropurin-6-ol is CN1CN(C)C2C1C(O)NC(N)N2C.
What is the InChIKey of 2-amino-3,7,9-trimethyl-1,2,4,5,6,8-hexahydropurin-6-ol?
The InChIKey is VGSDEVVULZWDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5O/c1-11-4-12(2)7-5(11)6(14)10-8(9)13(7)3/h5-8,10,14H,4,9H2,1-3H3.
What are the key properties of 2-amino-3,7,9-trimethyl-1,2,4,5,6,8-hexahydropurin-6-ol?
2-amino-3,7,9-trimethyl-1,2,4,5,6,8-hexahydropurin-6-ol has a molecular weight of 201.27 g/mol, XLogP of -2.39, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,7,9-trimethyl-1,2,4,5,6,8-hexahydropurin-6-ol is sourced from PubChem (CID 129090595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).