(4-methoxy-1,3,5-triazin-2-yl)urea

C5H7N5O2 — CID 23310879

IUPAC(4-methoxy-1,3,5-triazin-2-yl)urea
SMILESCOc1ncnc(NC(N)=O)n1
InChIInChI=1S/C5H7N5O2/c1-12-5-8-2-7-4(10-5)9-3(6)11/h2H,1H3,(H3,6,7,8,9,10,11)
InChIKeyRITCUIKOSZEUMA-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.63
Rot. Bonds2

About (4-methoxy-1,3,5-triazin-2-yl)urea

(4-methoxy-1,3,5-triazin-2-yl)urea (PubChem CID 23310879) has the molecular formula C5H7N5O2 and a molecular weight of 169.14 g/mol. Its IUPAC name is (4-methoxy-1,3,5-triazin-2-yl)urea.

Molecular Properties

Compound Name(4-methoxy-1,3,5-triazin-2-yl)urea
PubChem CID23310879
Molecular FormulaC5H7N5O2
Molecular Weight169.14 g/mol
Exact Mass169.06
IUPAC Name(4-methoxy-1,3,5-triazin-2-yl)urea
SMILESCOc1ncnc(NC(N)=O)n1
InChIInChI=1S/C5H7N5O2/c1-12-5-8-2-7-4(10-5)9-3(6)11/h2H,1H3,(H3,6,7,8,9,10,11)
InChIKeyRITCUIKOSZEUMA-UHFFFAOYSA-N
XLogP-0.63
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-1,3,5-triazin-2-amine
CID 14288
2,4-Dimethoxy-1,3,5-triazine
CID 243963
2-[Carbamoyl(sulfinato)amino]-1,3,5-triazine
CID 17888134
Ureido-s-triazine
CID 19917709
4-Methoxy-6-methylamino-1,3,5-triazin
CID 20133980
Thiocarbamate s-Triazine
CID 56995632
N-carboxy-N-sym-triazinyl-O-methylisourea
CID 129798727
N-sym-triazinyl-N-cyanourea
CID 129798978
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide
CID 12924257
Formaldehyde;1,3,5-triazin-2-amine
CID 18544388
methyl N-(1,3,5-triazin-2-yl)carbamate
CID 19704296
1-Methyl-1-(1,3,5-triazin-2-yl)urea
CID 19758518

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1,3,5-triazin-2-yl)urea?
The IUPAC name of (4-methoxy-1,3,5-triazin-2-yl)urea (CID 23310879) is (4-methoxy-1,3,5-triazin-2-yl)urea.
What is the SMILES notation for (4-methoxy-1,3,5-triazin-2-yl)urea?
The canonical SMILES for (4-methoxy-1,3,5-triazin-2-yl)urea is COc1ncnc(NC(N)=O)n1.
What is the InChIKey of (4-methoxy-1,3,5-triazin-2-yl)urea?
The InChIKey is RITCUIKOSZEUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O2/c1-12-5-8-2-7-4(10-5)9-3(6)11/h2H,1H3,(H3,6,7,8,9,10,11).
What are the key properties of (4-methoxy-1,3,5-triazin-2-yl)urea?
(4-methoxy-1,3,5-triazin-2-yl)urea has a molecular weight of 169.14 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1,3,5-triazin-2-yl)urea is sourced from PubChem (CID 23310879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).