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

C8H13N5O — CID 79033984

IUPAC2-[(6-methylpyrimidin-4-yl)amino]ethylurea
SMILESCc1cc(NCCNC(N)=O)ncn1
InChIInChI=1S/C8H13N5O/c1-6-4-7(13-5-12-6)10-2-3-11-8(9)14/h4-5H,2-3H2,1H3,(H3,9,11,14)(H,10,12,13)
InChIKeyDVJLOCAHLFUZHF-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.13
Rot. Bonds4

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

2-[(6-methylpyrimidin-4-yl)amino]ethylurea (PubChem CID 79033984) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-[(6-methylpyrimidin-4-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(6-methylpyrimidin-4-yl)amino]ethylurea
PubChem CID79033984
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-[(6-methylpyrimidin-4-yl)amino]ethylurea
SMILESCc1cc(NCCNC(N)=O)ncn1
InChIInChI=1S/C8H13N5O/c1-6-4-7(13-5-12-6)10-2-3-11-8(9)14/h4-5H,2-3H2,1H3,(H3,9,11,14)(H,10,12,13)
InChIKeyDVJLOCAHLFUZHF-UHFFFAOYSA-N
XLogP-0.13
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylpyrimidin-4-yl)amino]ethylurea?
The IUPAC name of 2-[(6-methylpyrimidin-4-yl)amino]ethylurea (CID 79033984) is 2-[(6-methylpyrimidin-4-yl)amino]ethylurea.
What is the SMILES notation for 2-[(6-methylpyrimidin-4-yl)amino]ethylurea?
The canonical SMILES for 2-[(6-methylpyrimidin-4-yl)amino]ethylurea is Cc1cc(NCCNC(N)=O)ncn1.
What is the InChIKey of 2-[(6-methylpyrimidin-4-yl)amino]ethylurea?
The InChIKey is DVJLOCAHLFUZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-6-4-7(13-5-12-6)10-2-3-11-8(9)14/h4-5H,2-3H2,1H3,(H3,9,11,14)(H,10,12,13).
What are the key properties of 2-[(6-methylpyrimidin-4-yl)amino]ethylurea?
2-[(6-methylpyrimidin-4-yl)amino]ethylurea has a molecular weight of 195.23 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylpyrimidin-4-yl)amino]ethylurea is sourced from PubChem (CID 79033984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).