6-amino-1-methyl-5-(1,2-oxazol-5-ylmethylamino)pyrimidine-2,4-dione

C9H11N5O3 — CID 106419112

IUPAC6-amino-1-methyl-5-(1,2-oxazol-5-ylmethylamino)pyrimidine-2,4-dione
SMILESCn1c(N)c(NCc2ccno2)c(=O)[nH]c1=O
InChIInChI=1S/C9H11N5O3/c1-14-7(10)6(8(15)13-9(14)16)11-4-5-2-3-12-17-5/h2-3,11H,4,10H2,1H3,(H,13,15,16)
InChIKeyCSJJMLCYCMSZAP-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.74
Rot. Bonds3

About 6-amino-1-methyl-5-(1,2-oxazol-5-ylmethylamino)pyrimidine-2,4-dione

6-amino-1-methyl-5-(1,2-oxazol-5-ylmethylamino)pyrimidine-2,4-dione (PubChem CID 106419112) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 6-amino-1-methyl-5-(1,2-oxazol-5-ylmethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-(1,2-oxazol-5-ylmethylamino)pyrimidine-2,4-dione
PubChem CID106419112
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name6-amino-1-methyl-5-(1,2-oxazol-5-ylmethylamino)pyrimidine-2,4-dione
SMILESCn1c(N)c(NCc2ccno2)c(=O)[nH]c1=O
InChIInChI=1S/C9H11N5O3/c1-14-7(10)6(8(15)13-9(14)16)11-4-5-2-3-12-17-5/h2-3,11H,4,10H2,1H3,(H,13,15,16)
InChIKeyCSJJMLCYCMSZAP-UHFFFAOYSA-N
XLogP-0.74
TPSA118.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-1-methyl-5-(pyrimidin-4-ylmethylamino)pyrimidine-2,4-dione
CID 114111521
6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione
CID 82739473
6-amino-1-methyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2,4-dione
CID 103736695
6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione
CID 113222252
6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione
CID 115887019
6-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione
CID 60710951
6-amino-1-methyl-5-(2-pyrazol-1-ylethylamino)pyrimidine-2,4-dione
CID 61067211
6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 54935174
6-amino-1-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-2,4-dione
CID 61212414
5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one
CID 136902041
2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide
CID 60667095
4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide
CID 54933396

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-(1,2-oxazol-5-ylmethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-(1,2-oxazol-5-ylmethylamino)pyrimidine-2,4-dione (CID 106419112) is 6-amino-1-methyl-5-(1,2-oxazol-5-ylmethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-(1,2-oxazol-5-ylmethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-(1,2-oxazol-5-ylmethylamino)pyrimidine-2,4-dione is Cn1c(N)c(NCc2ccno2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-methyl-5-(1,2-oxazol-5-ylmethylamino)pyrimidine-2,4-dione?
The InChIKey is CSJJMLCYCMSZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c1-14-7(10)6(8(15)13-9(14)16)11-4-5-2-3-12-17-5/h2-3,11H,4,10H2,1H3,(H,13,15,16).
What are the key properties of 6-amino-1-methyl-5-(1,2-oxazol-5-ylmethylamino)pyrimidine-2,4-dione?
6-amino-1-methyl-5-(1,2-oxazol-5-ylmethylamino)pyrimidine-2,4-dione has a molecular weight of 237.22 g/mol, XLogP of -0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-(1,2-oxazol-5-ylmethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 106419112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).