2-amino-5-methyl-6-propanoyl-3,6,7,8-tetrahydropteridin-4-one

C10H15N5O2 — CID 137287178

IUPAC2-amino-5-methyl-6-propanoyl-3,6,7,8-tetrahydropteridin-4-one
SMILESCCC(=O)C1CNc2nc(N)[nH]c(=O)c2N1C
InChIInChI=1S/C10H15N5O2/c1-3-6(16)5-4-12-8-7(15(5)2)9(17)14-10(11)13-8/h5H,3-4H2,1-2H3,(H4,11,12,13,14,17)
InChIKeySJYUNVVLAVYSJM-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.44
Rot. Bonds2

About 2-amino-5-methyl-6-propanoyl-3,6,7,8-tetrahydropteridin-4-one

2-amino-5-methyl-6-propanoyl-3,6,7,8-tetrahydropteridin-4-one (PubChem CID 137287178) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-amino-5-methyl-6-propanoyl-3,6,7,8-tetrahydropteridin-4-one.

Molecular Properties

Compound Name2-amino-5-methyl-6-propanoyl-3,6,7,8-tetrahydropteridin-4-one
PubChem CID137287178
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name2-amino-5-methyl-6-propanoyl-3,6,7,8-tetrahydropteridin-4-one
SMILESCCC(=O)C1CNc2nc(N)[nH]c(=O)c2N1C
InChIInChI=1S/C10H15N5O2/c1-3-6(16)5-4-12-8-7(15(5)2)9(17)14-10(11)13-8/h5H,3-4H2,1-2H3,(H4,11,12,13,14,17)
InChIKeySJYUNVVLAVYSJM-UHFFFAOYSA-N
XLogP-0.44
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-6-propanoyl-3,6,7,8-tetrahydropteridin-4-one?
The IUPAC name of 2-amino-5-methyl-6-propanoyl-3,6,7,8-tetrahydropteridin-4-one (CID 137287178) is 2-amino-5-methyl-6-propanoyl-3,6,7,8-tetrahydropteridin-4-one.
What is the SMILES notation for 2-amino-5-methyl-6-propanoyl-3,6,7,8-tetrahydropteridin-4-one?
The canonical SMILES for 2-amino-5-methyl-6-propanoyl-3,6,7,8-tetrahydropteridin-4-one is CCC(=O)C1CNc2nc(N)[nH]c(=O)c2N1C.
What is the InChIKey of 2-amino-5-methyl-6-propanoyl-3,6,7,8-tetrahydropteridin-4-one?
The InChIKey is SJYUNVVLAVYSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-3-6(16)5-4-12-8-7(15(5)2)9(17)14-10(11)13-8/h5H,3-4H2,1-2H3,(H4,11,12,13,14,17).
What are the key properties of 2-amino-5-methyl-6-propanoyl-3,6,7,8-tetrahydropteridin-4-one?
2-amino-5-methyl-6-propanoyl-3,6,7,8-tetrahydropteridin-4-one has a molecular weight of 237.26 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-6-propanoyl-3,6,7,8-tetrahydropteridin-4-one is sourced from PubChem (CID 137287178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).