2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea

C11H20N6O — CID 83117490

IUPAC2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
SMILESCCCNc1cc(NCCNC(N)=O)nc(C)n1
InChIInChI=1S/C11H20N6O/c1-3-4-13-9-7-10(17-8(2)16-9)14-5-6-15-11(12)18/h7H,3-6H2,1-2H3,(H3,12,15,18)(H2,13,14,16,17)
InChIKeyPMZONIORJILMTC-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.69
Rot. Bonds7

About 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea

2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea (PubChem CID 83117490) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea.

Molecular Properties

Compound Name2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
PubChem CID83117490
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
SMILESCCCNc1cc(NCCNC(N)=O)nc(C)n1
InChIInChI=1S/C11H20N6O/c1-3-4-13-9-7-10(17-8(2)16-9)14-5-6-15-11(12)18/h7H,3-6H2,1-2H3,(H3,12,15,18)(H2,13,14,16,17)
InChIKeyPMZONIORJILMTC-UHFFFAOYSA-N
XLogP0.69
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.69
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

4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80790862
2-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea
CID 102719108
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 45497026
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethylurea
CID 83117256
2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea
CID 83118223
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea
CID 114766555
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea
CID 83117246
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide
CID 45497028
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]pentanamide
CID 121074548
2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
CID 83118298
2-methyl-6-(propylamino)pyrimidine-4-carbothioamide
CID 130631586
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80787489

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea?
The IUPAC name of 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea (CID 83117490) is 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea.
What is the SMILES notation for 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea?
The canonical SMILES for 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea is CCCNc1cc(NCCNC(N)=O)nc(C)n1.
What is the InChIKey of 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea?
The InChIKey is PMZONIORJILMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-3-4-13-9-7-10(17-8(2)16-9)14-5-6-15-11(12)18/h7H,3-6H2,1-2H3,(H3,12,15,18)(H2,13,14,16,17).
What are the key properties of 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea?
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea has a molecular weight of 252.32 g/mol, XLogP of 0.69, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea is sourced from PubChem (CID 83117490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).