2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea

C10H18N6O — CID 83118298

IUPAC2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
SMILESCCCc1nc(N)cc(NCCNC(N)=O)n1
InChIInChI=1S/C10H18N6O/c1-2-3-8-15-7(11)6-9(16-8)13-4-5-14-10(12)17/h6H,2-5H2,1H3,(H3,12,14,17)(H3,11,13,15,16)
InChIKeyMMKWBHLPSMEFLE-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.09
Rot. Bonds6

About 2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea

2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea (PubChem CID 83118298) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
PubChem CID83118298
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
SMILESCCCc1nc(N)cc(NCCNC(N)=O)n1
InChIInChI=1S/C10H18N6O/c1-2-3-8-15-7(11)6-9(16-8)13-4-5-14-10(12)17/h6H,2-5H2,1H3,(H3,12,14,17)(H3,11,13,15,16)
InChIKeyMMKWBHLPSMEFLE-UHFFFAOYSA-N
XLogP0.09
TPSA118.95 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 ≤ 50.09
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

3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80954256
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-butan-2-ylpropanamide
CID 80954543
2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea
CID 83118223
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethylurea
CID 83117256
2-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343133
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117490
4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine
CID 80946334
methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80955368
N-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113481504
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea?
The IUPAC name of 2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea (CID 83118298) is 2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea.
What is the SMILES notation for 2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea?
The canonical SMILES for 2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea is CCCc1nc(N)cc(NCCNC(N)=O)n1.
What is the InChIKey of 2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea?
The InChIKey is MMKWBHLPSMEFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-2-3-8-15-7(11)6-9(16-8)13-4-5-14-10(12)17/h6H,2-5H2,1H3,(H3,12,14,17)(H3,11,13,15,16).
What are the key properties of 2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea?
2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea has a molecular weight of 238.29 g/mol, XLogP of 0.09, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea is sourced from PubChem (CID 83118298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).