N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-4-(4-fluorophenoxy)pyrimidin-2-amine

C19H23FN6O — CID 56574101

IUPACN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-4-(4-fluorophenoxy)pyrimidin-2-amine
SMILESCCN(CC)CCn1cc(Nc2nccc(Oc3ccc(F)cc3)n2)cn1
InChIInChI=1S/C19H23FN6O/c1-3-25(4-2)11-12-26-14-16(13-22-26)23-19-21-10-9-18(24-19)27-17-7-5-15(20)6-8-17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,23,24)
InChIKeyRAMOHVOVNMLWGG-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.69
Rot. Bonds9

About N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-4-(4-fluorophenoxy)pyrimidin-2-amine

N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-4-(4-fluorophenoxy)pyrimidin-2-amine (PubChem CID 56574101) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-4-(4-fluorophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-4-(4-fluorophenoxy)pyrimidin-2-amine
PubChem CID56574101
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-4-(4-fluorophenoxy)pyrimidin-2-amine
SMILESCCN(CC)CCn1cc(Nc2nccc(Oc3ccc(F)cc3)n2)cn1
InChIInChI=1S/C19H23FN6O/c1-3-25(4-2)11-12-26-14-16(13-22-26)23-19-21-10-9-18(24-19)27-17-7-5-15(20)6-8-17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,23,24)
InChIKeyRAMOHVOVNMLWGG-UHFFFAOYSA-N
XLogP3.69
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-phenoxy-6-(1H-pyrazol-1-yl)pyrimidine
CID 661390
(3S)-1-[[1-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]methyl]-3-methylpiperazine
CID 16749783
4-(4-Methylpyrazol-1-yl)-6-phenoxypyrimidine
CID 661295
(3R,5S)-1-[[1-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]methyl]-3,5-dimethylpiperazine
CID 16749753
(3R,5S)-1-[[1-[2-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]methyl]-3,5-dimethylpiperazine
CID 16749781
(3R,5S)-1-[[1-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]methyl]-3,5-dimethylpiperazine
CID 16749782
US10172856, Example 11
CID 137395041
2-Methyl-5-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyrimidin-4-amine
CID 57401134
5-[[4-[(4-Fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
CID 90276731
4-{4-[1-(3-phenoxypropyl)-1H-imidazol-2-yl]-1H-1,2,3-triazol-1-yl}piperidine
CID 70777417
N-(2-(1H-pyrazol-1-yl)pyrimidin-5-yl)-2-phenoxyacetamide
CID 71789777
5-fluoro-4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
CID 155560842

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-4-(4-fluorophenoxy)pyrimidin-2-amine?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-4-(4-fluorophenoxy)pyrimidin-2-amine (CID 56574101) is N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-4-(4-fluorophenoxy)pyrimidin-2-amine.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-4-(4-fluorophenoxy)pyrimidin-2-amine?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-4-(4-fluorophenoxy)pyrimidin-2-amine is CCN(CC)CCn1cc(Nc2nccc(Oc3ccc(F)cc3)n2)cn1.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-4-(4-fluorophenoxy)pyrimidin-2-amine?
The InChIKey is RAMOHVOVNMLWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O/c1-3-25(4-2)11-12-26-14-16(13-22-26)23-19-21-10-9-18(24-19)27-17-7-5-15(20)6-8-17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,23,24).
What are the key properties of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-4-(4-fluorophenoxy)pyrimidin-2-amine?
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-4-(4-fluorophenoxy)pyrimidin-2-amine has a molecular weight of 370.43 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-4-(4-fluorophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 56574101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).