2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea

C12H22N6O — CID 83117246

IUPAC2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea
SMILESCCNc1cc(NCCNC(N)=O)nc(C(C)C)n1
InChIInChI=1S/C12H22N6O/c1-4-14-9-7-10(15-5-6-16-12(13)19)18-11(17-9)8(2)3/h7-8H,4-6H2,1-3H3,(H3,13,16,19)(H2,14,15,17,18)
InChIKeyWXXMVHOEPFPULZ-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.11
Rot. Bonds7

About 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea

2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea (PubChem CID 83117246) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea.

Molecular Properties

Compound Name2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea
PubChem CID83117246
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea
SMILESCCNc1cc(NCCNC(N)=O)nc(C(C)C)n1
InChIInChI=1S/C12H22N6O/c1-4-14-9-7-10(15-5-6-16-12(13)19)18-11(17-9)8(2)3/h7-8H,4-6H2,1-3H3,(H3,13,16,19)(H2,14,15,17,18)
InChIKeyWXXMVHOEPFPULZ-UHFFFAOYSA-N
XLogP1.11
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.11
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

methyl 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80961777
N-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 80967250
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117490
2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea
CID 83118223
N-[2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 133407556
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethylurea
CID 83117256
4-N-(2-ethoxyethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967942
5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106163373
2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
CID 83118298
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 45497026
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea?
The IUPAC name of 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea (CID 83117246) is 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea.
What is the SMILES notation for 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea?
The canonical SMILES for 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea is CCNc1cc(NCCNC(N)=O)nc(C(C)C)n1.
What is the InChIKey of 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea?
The InChIKey is WXXMVHOEPFPULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-4-14-9-7-10(15-5-6-16-12(13)19)18-11(17-9)8(2)3/h7-8H,4-6H2,1-3H3,(H3,13,16,19)(H2,14,15,17,18).
What are the key properties of 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea?
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea has a molecular weight of 266.35 g/mol, XLogP of 1.11, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea is sourced from PubChem (CID 83117246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).