N-(4-amino-1-methylpteridin-2-ylidene)acetamide

C9H10N6O — CID 1236459

IUPACN-(4-amino-1-methylpteridin-2-ylidene)acetamide
SMILESCC(=O)/N=c1\nc(N)c2nccnc2n1C
InChIInChI=1S/C9H10N6O/c1-5(16)13-9-14-7(10)6-8(15(9)2)12-4-3-11-6/h3-4H,1-2H3,(H2,10,13,14,16)
InChIKeyCUSKLPRFEWKNAP-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.61
Rot. Bonds

About N-(4-amino-1-methylpteridin-2-ylidene)acetamide

N-(4-amino-1-methylpteridin-2-ylidene)acetamide (PubChem CID 1236459) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is N-(4-amino-1-methylpteridin-2-ylidene)acetamide.

Molecular Properties

Compound NameN-(4-amino-1-methylpteridin-2-ylidene)acetamide
PubChem CID1236459
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC NameN-(4-amino-1-methylpteridin-2-ylidene)acetamide
SMILESCC(=O)/N=c1\nc(N)c2nccnc2n1C
InChIInChI=1S/C9H10N6O/c1-5(16)13-9-14-7(10)6-8(15(9)2)12-4-3-11-6/h3-4H,1-2H3,(H2,10,13,14,16)
InChIKeyCUSKLPRFEWKNAP-UHFFFAOYSA-N
XLogP-0.61
TPSA99.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methylpteridin-2-ylidene)acetamide?
The IUPAC name of N-(4-amino-1-methylpteridin-2-ylidene)acetamide (CID 1236459) is N-(4-amino-1-methylpteridin-2-ylidene)acetamide.
What is the SMILES notation for N-(4-amino-1-methylpteridin-2-ylidene)acetamide?
The canonical SMILES for N-(4-amino-1-methylpteridin-2-ylidene)acetamide is CC(=O)/N=c1\nc(N)c2nccnc2n1C.
What is the InChIKey of N-(4-amino-1-methylpteridin-2-ylidene)acetamide?
The InChIKey is CUSKLPRFEWKNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O/c1-5(16)13-9-14-7(10)6-8(15(9)2)12-4-3-11-6/h3-4H,1-2H3,(H2,10,13,14,16).
What are the key properties of N-(4-amino-1-methylpteridin-2-ylidene)acetamide?
N-(4-amino-1-methylpteridin-2-ylidene)acetamide has a molecular weight of 218.22 g/mol, XLogP of -0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methylpteridin-2-ylidene)acetamide is sourced from PubChem (CID 1236459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).