5-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine

C10H12ClN5O — CID 114049955

IUPAC5-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine
SMILESCc1nn(C)c(C)c1Oc1ncnc(N)c1Cl
InChIInChI=1S/C10H12ClN5O/c1-5-8(6(2)16(3)15-5)17-10-7(11)9(12)13-4-14-10/h4H,1-3H3,(H2,12,13,14)
InChIKeyADQDRADWWMWJMI-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.85
Rot. Bonds2

About 5-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine

5-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine (PubChem CID 114049955) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 5-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine
PubChem CID114049955
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name5-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine
SMILESCc1nn(C)c(C)c1Oc1ncnc(N)c1Cl
InChIInChI=1S/C10H12ClN5O/c1-5-8(6(2)16(3)15-5)17-10-7(11)9(12)13-4-14-10/h4H,1-3H3,(H2,12,13,14)
InChIKeyADQDRADWWMWJMI-UHFFFAOYSA-N
XLogP1.85
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-5-amine
CID 114044150
5-iodo-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine
CID 66321210
4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole
CID 58077329
N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine
CID 80878427
3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 112648512
2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine
CID 103320160
5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine
CID 80877691
3-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 80748204
4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 83008583
4-hydrazinyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine
CID 80922318
(1R)-1-[5-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine
CID 83123786
2-ethyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine
CID 80941475

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine (CID 114049955) is 5-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine is Cc1nn(C)c(C)c1Oc1ncnc(N)c1Cl.
What is the InChIKey of 5-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine?
The InChIKey is ADQDRADWWMWJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-5-8(6(2)16(3)15-5)17-10-7(11)9(12)13-4-14-10/h4H,1-3H3,(H2,12,13,14).
What are the key properties of 5-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine?
5-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine has a molecular weight of 253.69 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine is sourced from PubChem (CID 114049955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).