2-amino-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione

C9H13N5O2 — CID 129133637

IUPAC2-amino-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione
SMILESCC(C)N1C(=O)C=NC2C(=O)NC(N)=NC21
InChIInChI=1S/C9H13N5O2/c1-4(2)14-5(15)3-11-6-7(14)12-9(10)13-8(6)16/h3-4,6-7H,1-2H3,(H3,10,12,13,16)
InChIKeyMGPIMUDNSYDECA-UHFFFAOYSA-N
MW223.24 g/mol
LogP-1.55
Rot. Bonds1

About 2-amino-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione

2-amino-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione (PubChem CID 129133637) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-amino-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione.

Molecular Properties

Compound Name2-amino-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione
PubChem CID129133637
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name2-amino-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione
SMILESCC(C)N1C(=O)C=NC2C(=O)NC(N)=NC21
InChIInChI=1S/C9H13N5O2/c1-4(2)14-5(15)3-11-6-7(14)12-9(10)13-8(6)16/h3-4,6-7H,1-2H3,(H3,10,12,13,16)
InChIKeyMGPIMUDNSYDECA-UHFFFAOYSA-N
XLogP-1.55
TPSA100.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione?
The IUPAC name of 2-amino-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione (CID 129133637) is 2-amino-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione.
What is the SMILES notation for 2-amino-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione?
The canonical SMILES for 2-amino-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione is CC(C)N1C(=O)C=NC2C(=O)NC(N)=NC21.
What is the InChIKey of 2-amino-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione?
The InChIKey is MGPIMUDNSYDECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-4(2)14-5(15)3-11-6-7(14)12-9(10)13-8(6)16/h3-4,6-7H,1-2H3,(H3,10,12,13,16).
What are the key properties of 2-amino-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione?
2-amino-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione has a molecular weight of 223.24 g/mol, XLogP of -1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione is sourced from PubChem (CID 129133637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).