[2-[4-fluoro-2-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)oxyphenyl]pyrimidin-5-yl]methanamine

C19H21FN6O2 — CID 167429502

IUPAC[2-[4-fluoro-2-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)oxyphenyl]pyrimidin-5-yl]methanamine
SMILESCn1nc(N2CCOCC2)cc1Oc1cc(F)ccc1-c1ncc(CN)cn1
InChIInChI=1S/C19H21FN6O2/c1-25-18(9-17(24-25)26-4-6-27-7-5-26)28-16-8-14(20)2-3-15(16)19-22-11-13(10-21)12-23-19/h2-3,8-9,11-12H,4-7,10,21H2,1H3
InChIKeyHXAOHIWQUGKDCL-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.10
Rot. Bonds5

About [2-[4-fluoro-2-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)oxyphenyl]pyrimidin-5-yl]methanamine

[2-[4-fluoro-2-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)oxyphenyl]pyrimidin-5-yl]methanamine (PubChem CID 167429502) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is [2-[4-fluoro-2-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)oxyphenyl]pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-[4-fluoro-2-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)oxyphenyl]pyrimidin-5-yl]methanamine
PubChem CID167429502
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name[2-[4-fluoro-2-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)oxyphenyl]pyrimidin-5-yl]methanamine
SMILESCn1nc(N2CCOCC2)cc1Oc1cc(F)ccc1-c1ncc(CN)cn1
InChIInChI=1S/C19H21FN6O2/c1-25-18(9-17(24-25)26-4-6-27-7-5-26)28-16-8-14(20)2-3-15(16)19-22-11-13(10-21)12-23-19/h2-3,8-9,11-12H,4-7,10,21H2,1H3
InChIKeyHXAOHIWQUGKDCL-UHFFFAOYSA-N
XLogP2.10
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-(aminomethyl)pyrimidin-2-yl]-3-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-5-yl]oxybenzonitrile
CID 167429866
4-[5-(aminomethyl)pyrimidin-2-yl]-3-[1-methyl-3-[(3S)-oxolan-3-yl]pyrazol-5-yl]oxybenzonitrile
CID 167429646
5-[2-[5-(aminomethyl)pyrimidin-2-yl]-5-cyanophenoxy]-N,N,1-trimethylpyrazole-3-carboxamide
CID 167429456
4-[5-(aminomethyl)pyrimidin-2-yl]-3-[1-methyl-3-(1-methylimidazol-2-yl)pyrazol-5-yl]oxybenzonitrile
CID 167429460
(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 44784898
[6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
CID 62988943
4-[5-(2-chloro-4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 121498404
[6-[4-chloro-2-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]-3-pyridinyl]methanamine
CID 167429110
4-[5-(aminomethyl)pyrimidin-2-yl]-3-(1-methyl-3-pyrrolidin-1-ylpyrazole-5-carbonyl)benzonitrile
CID 156891550
4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine
CID 140655061
4-[5-(aminomethyl)-2-pyridinyl]-3-[1-methyl-3-[(3R)-oxan-3-yl]pyrazol-5-yl]oxybenzonitrile
CID 167429598
4-[5-(2-amino-1-hydroxyethyl)pyrimidin-2-yl]-3-(3-butyl-1-methylpyrazol-5-yl)oxybenzonitrile
CID 167429112

Frequently Asked Questions

What is the IUPAC name of [2-[4-fluoro-2-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)oxyphenyl]pyrimidin-5-yl]methanamine?
The IUPAC name of [2-[4-fluoro-2-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)oxyphenyl]pyrimidin-5-yl]methanamine (CID 167429502) is [2-[4-fluoro-2-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)oxyphenyl]pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-[4-fluoro-2-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)oxyphenyl]pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-[4-fluoro-2-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)oxyphenyl]pyrimidin-5-yl]methanamine is Cn1nc(N2CCOCC2)cc1Oc1cc(F)ccc1-c1ncc(CN)cn1.
What is the InChIKey of [2-[4-fluoro-2-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)oxyphenyl]pyrimidin-5-yl]methanamine?
The InChIKey is HXAOHIWQUGKDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-25-18(9-17(24-25)26-4-6-27-7-5-26)28-16-8-14(20)2-3-15(16)19-22-11-13(10-21)12-23-19/h2-3,8-9,11-12H,4-7,10,21H2,1H3.
What are the key properties of [2-[4-fluoro-2-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)oxyphenyl]pyrimidin-5-yl]methanamine?
[2-[4-fluoro-2-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)oxyphenyl]pyrimidin-5-yl]methanamine has a molecular weight of 384.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-fluoro-2-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)oxyphenyl]pyrimidin-5-yl]methanamine is sourced from PubChem (CID 167429502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).