2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine

C18H20ClN5O — CID 167429894

IUPAC2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine
SMILESCC(C)n1cc(Oc2cc(Cl)ccc2-c2ncc(CCN)cn2)cn1
InChIInChI=1S/C18H20ClN5O/c1-12(2)24-11-15(10-23-24)25-17-7-14(19)3-4-16(17)18-21-8-13(5-6-20)9-22-18/h3-4,7-12H,5-6,20H2,1-2H3
InChIKeyHNWFUKYSRCCGRA-UHFFFAOYSA-N
MW357.85 g/mol
LogP3.87
Rot. Bonds6

About 2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine

2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine (PubChem CID 167429894) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine
PubChem CID167429894
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine
SMILESCC(C)n1cc(Oc2cc(Cl)ccc2-c2ncc(CCN)cn2)cn1
InChIInChI=1S/C18H20ClN5O/c1-12(2)24-11-15(10-23-24)25-17-7-14(19)3-4-16(17)18-21-8-13(5-6-20)9-22-18/h3-4,7-12H,5-6,20H2,1-2H3
InChIKeyHNWFUKYSRCCGRA-UHFFFAOYSA-N
XLogP3.87
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116804257
2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116804277
2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 106533565
5-chloro-N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide
CID 116801481
[5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine
CID 116803066
[2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-yl]methanamine
CID 116802334
4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole
CID 116805404
[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanamine
CID 116800206
3,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)oxypyridazine
CID 116801133
1-[3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine
CID 116804291
2,4-difluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800554
[5-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 114929125

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine (CID 167429894) is 2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine is CC(C)n1cc(Oc2cc(Cl)ccc2-c2ncc(CCN)cn2)cn1.
What is the InChIKey of 2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine?
The InChIKey is HNWFUKYSRCCGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-12(2)24-11-15(10-23-24)25-17-7-14(19)3-4-16(17)18-21-8-13(5-6-20)9-22-18/h3-4,7-12H,5-6,20H2,1-2H3.
What are the key properties of 2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine?
2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine has a molecular weight of 357.85 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 167429894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).