4-[(3-amino-2,2-dimethylpropyl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one

C12H20N6O — CID 101078766

IUPAC4-[(3-amino-2,2-dimethylpropyl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one
SMILESCC1Nc2ncnc(NCC(C)(C)CN)c2NC1=O
InChIInChI=1S/C12H20N6O/c1-7-11(19)18-8-9(14-5-12(2,3)4-13)15-6-16-10(8)17-7/h6-7H,4-5,13H2,1-3H3,(H,18,19)(H2,14,15,16,17)
InChIKeyDEUGQJCCFILUAM-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.63
Rot. Bonds4

About 4-[(3-amino-2,2-dimethylpropyl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one

4-[(3-amino-2,2-dimethylpropyl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one (PubChem CID 101078766) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[(3-amino-2,2-dimethylpropyl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name4-[(3-amino-2,2-dimethylpropyl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one
PubChem CID101078766
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name4-[(3-amino-2,2-dimethylpropyl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one
SMILESCC1Nc2ncnc(NCC(C)(C)CN)c2NC1=O
InChIInChI=1S/C12H20N6O/c1-7-11(19)18-8-9(14-5-12(2,3)4-13)15-6-16-10(8)17-7/h6-7H,4-5,13H2,1-3H3,(H,18,19)(H2,14,15,16,17)
InChIKeyDEUGQJCCFILUAM-UHFFFAOYSA-N
XLogP0.63
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one (CID 101078766) is 4-[(3-amino-2,2-dimethylpropyl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 4-[(3-amino-2,2-dimethylpropyl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 4-[(3-amino-2,2-dimethylpropyl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one is CC1Nc2ncnc(NCC(C)(C)CN)c2NC1=O.
What is the InChIKey of 4-[(3-amino-2,2-dimethylpropyl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is DEUGQJCCFILUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-7-11(19)18-8-9(14-5-12(2,3)4-13)15-6-16-10(8)17-7/h6-7H,4-5,13H2,1-3H3,(H,18,19)(H2,14,15,16,17).
What are the key properties of 4-[(3-amino-2,2-dimethylpropyl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one?
4-[(3-amino-2,2-dimethylpropyl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 264.33 g/mol, XLogP of 0.63, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2-dimethylpropyl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 101078766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).