2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea

C10H18N6O — CID 83118223

IUPAC2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea
SMILESCCc1nc(NC)cc(NCCNC(N)=O)n1
InChIInChI=1S/C10H18N6O/c1-3-7-15-8(12-2)6-9(16-7)13-4-5-14-10(11)17/h6H,3-5H2,1-2H3,(H3,11,14,17)(H2,12,13,15,16)
InChIKeyKPOKPKOVJOHUQD-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.16
Rot. Bonds6

About 2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea

2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea (PubChem CID 83118223) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea.

Molecular Properties

Compound Name2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea
PubChem CID83118223
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea
SMILESCCc1nc(NC)cc(NCCNC(N)=O)n1
InChIInChI=1S/C10H18N6O/c1-3-7-15-8(12-2)6-9(16-7)13-4-5-14-10(11)17/h6H,3-5H2,1-2H3,(H3,11,14,17)(H2,12,13,15,16)
InChIKeyKPOKPKOVJOHUQD-UHFFFAOYSA-N
XLogP0.16
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethylurea
CID 83117256
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117490
2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
CID 83118298
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80933122
6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 114009544
5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324238
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80933202
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea
CID 83117246
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide
CID 80934884
4-N-[2-(dimethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933851
4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide
CID 80933799
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea?
The IUPAC name of 2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea (CID 83118223) is 2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea.
What is the SMILES notation for 2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea?
The canonical SMILES for 2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea is CCc1nc(NC)cc(NCCNC(N)=O)n1.
What is the InChIKey of 2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea?
The InChIKey is KPOKPKOVJOHUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-3-7-15-8(12-2)6-9(16-7)13-4-5-14-10(11)17/h6H,3-5H2,1-2H3,(H3,11,14,17)(H2,12,13,15,16).
What are the key properties of 2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea?
2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea has a molecular weight of 238.29 g/mol, XLogP of 0.16, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea is sourced from PubChem (CID 83118223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).