2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea

C10H17N5O2 — CID 83113430

IUPAC2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea
SMILESCCCn1ccnc(NCCNC(N)=O)c1=O
InChIInChI=1S/C10H17N5O2/c1-2-6-15-7-5-13-8(9(15)16)12-3-4-14-10(11)17/h5,7H,2-4,6H2,1H3,(H,12,13)(H3,11,14,17)
InChIKeySLZWRQFACRDOTP-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.27
Rot. Bonds6

About 2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea

2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea (PubChem CID 83113430) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea
PubChem CID83113430
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea
SMILESCCCn1ccnc(NCCNC(N)=O)c1=O
InChIInChI=1S/C10H17N5O2/c1-2-6-15-7-5-13-8(9(15)16)12-3-4-14-10(11)17/h5,7H,2-4,6H2,1H3,(H,12,13)(H3,11,14,17)
InChIKeySLZWRQFACRDOTP-UHFFFAOYSA-N
XLogP-0.27
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
CID 62940196
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
2-methyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 80539578
6-[(3-oxo-4-propylpyrazin-2-yl)amino]hexanoic acid
CID 62938901
3-(5-chloropentylamino)-1-propylpyrazin-2-one
CID 107320514
3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide
CID 55157567
3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one
CID 66168864
3-(4-chloropentylamino)-1-propylpyrazin-2-one
CID 106124558
N-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
CID 79400978
3-methyl-2-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]butanoic acid
CID 65226703
1-propyl-3-(2-thiophen-2-ylethylamino)pyrazin-2-one
CID 62938256
N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide
CID 55155069

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea?
The IUPAC name of 2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea (CID 83113430) is 2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea.
What is the SMILES notation for 2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea?
The canonical SMILES for 2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea is CCCn1ccnc(NCCNC(N)=O)c1=O.
What is the InChIKey of 2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea?
The InChIKey is SLZWRQFACRDOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-2-6-15-7-5-13-8(9(15)16)12-3-4-14-10(11)17/h5,7H,2-4,6H2,1H3,(H,12,13)(H3,11,14,17).
What are the key properties of 2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea?
2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea has a molecular weight of 239.28 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea is sourced from PubChem (CID 83113430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).