2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate

C10H16N4O4 — CID 83209239

IUPAC2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate
SMILESCOc1ncnc(OC)c1CNCCOC(N)=O
InChIInChI=1S/C10H16N4O4/c1-16-8-7(9(17-2)14-6-13-8)5-12-3-4-18-10(11)15/h6,12H,3-5H2,1-2H3,(H2,11,15)
InChIKeyMPJWOSPMDIJGKS-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.32
Rot. Bonds7

About 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate

2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate (PubChem CID 83209239) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate
PubChem CID83209239
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate
SMILESCOc1ncnc(OC)c1CNCCOC(N)=O
InChIInChI=1S/C10H16N4O4/c1-16-8-7(9(17-2)14-6-13-8)5-12-3-4-18-10(11)15/h6,12H,3-5H2,1-2H3,(H2,11,15)
InChIKeyMPJWOSPMDIJGKS-UHFFFAOYSA-N
XLogP-0.32
TPSA108.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide
CID 60864470
6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol
CID 107848836
4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol
CID 64929900
2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate
CID 83211857
2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate
CID 83210035
N-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
CID 61022788
2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
CID 63824614
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63982283
1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol
CID 65103677
2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate
CID 83202397
2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate
CID 83211785
2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate
CID 83211810

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate?
The IUPAC name of 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate (CID 83209239) is 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate is COc1ncnc(OC)c1CNCCOC(N)=O.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate?
The InChIKey is MPJWOSPMDIJGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-16-8-7(9(17-2)14-6-13-8)5-12-3-4-18-10(11)15/h6,12H,3-5H2,1-2H3,(H2,11,15).
What are the key properties of 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate?
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate has a molecular weight of 256.26 g/mol, XLogP of -0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate is sourced from PubChem (CID 83209239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).