2-amino-3,7,7-trimethyl-5,8-dihydropteridine-4,6-dione

C9H13N5O2 — CID 171384871

IUPAC2-amino-3,7,7-trimethyl-5,8-dihydropteridine-4,6-dione
SMILESCn1c(N)nc2c(c1=O)NC(=O)C(C)(C)N2
InChIInChI=1S/C9H13N5O2/c1-9(2)7(16)11-4-5(13-9)12-8(10)14(3)6(4)15/h13H,1-3H3,(H2,10,12)(H,11,16)
InChIKeyBGQNCELTRCRQHE-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.49
Rot. Bonds

About 2-amino-3,7,7-trimethyl-5,8-dihydropteridine-4,6-dione

2-amino-3,7,7-trimethyl-5,8-dihydropteridine-4,6-dione (PubChem CID 171384871) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-amino-3,7,7-trimethyl-5,8-dihydropteridine-4,6-dione.

Molecular Properties

Compound Name2-amino-3,7,7-trimethyl-5,8-dihydropteridine-4,6-dione
PubChem CID171384871
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name2-amino-3,7,7-trimethyl-5,8-dihydropteridine-4,6-dione
SMILESCn1c(N)nc2c(c1=O)NC(=O)C(C)(C)N2
InChIInChI=1S/C9H13N5O2/c1-9(2)7(16)11-4-5(13-9)12-8(10)14(3)6(4)15/h13H,1-3H3,(H2,10,12)(H,11,16)
InChIKeyBGQNCELTRCRQHE-UHFFFAOYSA-N
XLogP-0.49
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,7,7-trimethyl-5,8-dihydropteridine-4,6-dione?
The IUPAC name of 2-amino-3,7,7-trimethyl-5,8-dihydropteridine-4,6-dione (CID 171384871) is 2-amino-3,7,7-trimethyl-5,8-dihydropteridine-4,6-dione.
What is the SMILES notation for 2-amino-3,7,7-trimethyl-5,8-dihydropteridine-4,6-dione?
The canonical SMILES for 2-amino-3,7,7-trimethyl-5,8-dihydropteridine-4,6-dione is Cn1c(N)nc2c(c1=O)NC(=O)C(C)(C)N2.
What is the InChIKey of 2-amino-3,7,7-trimethyl-5,8-dihydropteridine-4,6-dione?
The InChIKey is BGQNCELTRCRQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-9(2)7(16)11-4-5(13-9)12-8(10)14(3)6(4)15/h13H,1-3H3,(H2,10,12)(H,11,16).
What are the key properties of 2-amino-3,7,7-trimethyl-5,8-dihydropteridine-4,6-dione?
2-amino-3,7,7-trimethyl-5,8-dihydropteridine-4,6-dione has a molecular weight of 223.24 g/mol, XLogP of -0.49, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,7,7-trimethyl-5,8-dihydropteridine-4,6-dione is sourced from PubChem (CID 171384871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).