5-iodo-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine

C10H11IN4O — CID 66321210

IUPAC5-iodo-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine
SMILESCc1nn(C)c(C)c1Oc1ncncc1I
InChIInChI=1S/C10H11IN4O/c1-6-9(7(2)15(3)14-6)16-10-8(11)4-12-5-13-10/h4-5H,1-3H3
InChIKeyXMMGMFZBYJHLMB-UHFFFAOYSA-N
MW330.13 g/mol
LogP2.22
Rot. Bonds2

About 5-iodo-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine

5-iodo-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine (PubChem CID 66321210) has the molecular formula C10H11IN4O and a molecular weight of 330.13 g/mol. Its IUPAC name is 5-iodo-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine.

Molecular Properties

Compound Name5-iodo-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine
PubChem CID66321210
Molecular FormulaC10H11IN4O
Molecular Weight330.13 g/mol
Exact Mass330.00
IUPAC Name5-iodo-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine
SMILESCc1nn(C)c(C)c1Oc1ncncc1I
InChIInChI=1S/C10H11IN4O/c1-6-9(7(2)15(3)14-6)16-10-8(11)4-12-5-13-10/h4-5H,1-3H3
InChIKeyXMMGMFZBYJHLMB-UHFFFAOYSA-N
XLogP2.22
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine
CID 114049955
2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-5-amine
CID 114044150
5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine
CID 66321198
N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine
CID 80878427
5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine
CID 80877691
2-(5-iodopyrimidin-4-yl)oxy-4-methylaniline
CID 66340607
5-iodo-4-(4-methylsulfanylphenoxy)pyrimidine
CID 66319830
4-(5-iodopyrimidin-4-yl)oxy-2-methyl-5-propan-2-ylaniline
CID 66339755
4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine
CID 66319360
4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole
CID 58077329
2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine
CID 103320160
methyl 6-(1,3,5-trimethylpyrazol-4-yl)oxypyrazine-2-carboxylate
CID 66458098

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine?
The IUPAC name of 5-iodo-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine (CID 66321210) is 5-iodo-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine.
What is the SMILES notation for 5-iodo-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine?
The canonical SMILES for 5-iodo-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine is Cc1nn(C)c(C)c1Oc1ncncc1I.
What is the InChIKey of 5-iodo-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine?
The InChIKey is XMMGMFZBYJHLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4O/c1-6-9(7(2)15(3)14-6)16-10-8(11)4-12-5-13-10/h4-5H,1-3H3.
What are the key properties of 5-iodo-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine?
5-iodo-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine has a molecular weight of 330.13 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine is sourced from PubChem (CID 66321210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).